TY  - JOUR
AU  - Marlani, Maia
AU  - Nadaraia, Nanuli
AU  - Barbakadze, Nana
AU  - Amiranashvili, Lela
AU  - Kakhabrishvili, M
AU  - Petrou, Anthi
AU  - Carević, Tamara
AU  - Glamočlija, Jasmina
AU  - Geronikaki, Athina
PY  - 2024
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/6556
AB  - Most of pharmaceutical agents display several or even many biological activities. It is obvious that testing even one compound for thousands of biological activities is a practically not reasonable task. Therefore, computer-aided prediction is the method of choice for the selection of the most promising bioassays for particular compounds. Using PASS Online software, we determined the probable antimicrobial activity of the 31 steroid derivatives. Experimental testing of the antimicrobial activity of the tested compounds by microdilution method confirmed the computational predictions. Furthermore, P. aeruginosa and C. albicans biofilm formation was investigated. Compound 11 showed a biofilm reduction by 42.26% at the MIC of the tested compound. The percentages are lower than ketoconazole, but very close to its activity.
PB  - Abingdon: Taylor and Francis
T2  - SAR and QSAR in Environmental Research
T1  - Steroidal hydrazones as antimicrobial agents: biological evaluation and molecular docking studies
IS  - 2
VL  - 35
DO  - 10.1080/1062936X.2024.2309183
SP  - 137
EP  - 155
ER  - 

@article{
author = "Marlani, Maia and Nadaraia, Nanuli and Barbakadze, Nana and Amiranashvili, Lela and Kakhabrishvili, M and Petrou, Anthi and Carević, Tamara and Glamočlija, Jasmina and Geronikaki, Athina",
year = "2024",
abstract = "Most of pharmaceutical agents display several or even many biological activities. It is obvious that testing even one compound for thousands of biological activities is a practically not reasonable task. Therefore, computer-aided prediction is the method of choice for the selection of the most promising bioassays for particular compounds. Using PASS Online software, we determined the probable antimicrobial activity of the 31 steroid derivatives. Experimental testing of the antimicrobial activity of the tested compounds by microdilution method confirmed the computational predictions. Furthermore, P. aeruginosa and C. albicans biofilm formation was investigated. Compound 11 showed a biofilm reduction by 42.26% at the MIC of the tested compound. The percentages are lower than ketoconazole, but very close to its activity.",
publisher = "Abingdon: Taylor and Francis",
journal = "SAR and QSAR in Environmental Research",
title = "Steroidal hydrazones as antimicrobial agents: biological evaluation and molecular docking studies",
number = "2",
volume = "35",
doi = "10.1080/1062936X.2024.2309183",
pages = "137-155"
}

Marlani, M., Nadaraia, N., Barbakadze, N., Amiranashvili, L., Kakhabrishvili, M., Petrou, A., Carević, T., Glamočlija, J.,& Geronikaki, A.. (2024). Steroidal hydrazones as antimicrobial agents: biological evaluation and molecular docking studies. in SAR and QSAR in Environmental Research
Abingdon: Taylor and Francis., 35(2), 137-155.
https://doi.org/10.1080/1062936X.2024.2309183

Marlani M, Nadaraia N, Barbakadze N, Amiranashvili L, Kakhabrishvili M, Petrou A, Carević T, Glamočlija J, Geronikaki A. Steroidal hydrazones as antimicrobial agents: biological evaluation and molecular docking studies. in SAR and QSAR in Environmental Research. 2024;35(2):137-155.
doi:10.1080/1062936X.2024.2309183 .

Marlani, Maia, Nadaraia, Nanuli, Barbakadze, Nana, Amiranashvili, Lela, Kakhabrishvili, M, Petrou, Anthi, Carević, Tamara, Glamočlija, Jasmina, Geronikaki, Athina, "Steroidal hydrazones as antimicrobial agents: biological evaluation and molecular docking studies" in SAR and QSAR in Environmental Research, 35, no. 2 (2024):137-155,
https://doi.org/10.1080/1062936X.2024.2309183 . .

TY  - JOUR
AU  - Merlani, Maia
AU  - Nadaraia, Nanuli
AU  - Amiranashvili, Lela
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Carević, Tamara
AU  - Soković, Marina
PY  - 2023
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5659
AB  - Twelve steroid based hydrazones were in silico evaluated using computer program PASS as antimicrobial agents. The experimental evaluation revealed that all compounds have low to moderate antibacterial activity against all bacteria tested, except for B.cereus with MIC at a range of 0.37–3.00 mg/mL and MBC at 0.75–6.00 mg/mL. The most potent appeared to be compound 11 with MIC/MBC of0.75/1.5 mg/mL, respectively. The evaluation of antibacterial activity against three resistant strains MRSA, E.coli and P.aeruginosa demonstrated superior activity of compounds against MRSA compared with ampicillin, which did not show bacteriostatic or bactericidal activities. All compounds exhibited good antifungal activity with MIC of 0.37–1.50 mg/mL and MFC of 1.50–3.00 mg/mL, but with different sensitivity against fungi tested. According to docking studies, 14-alpha demethylase inhibition may be responsible for antifungal activity. Two compounds were evaluated for their antibiofilm activity. Finally, drug-likeness and docking prediction were performed.
PB  - Basel: MDPI
T2  - Molecules
T1  - Antimicrobial Activity of Some Steroidal Hydrazones
IS  - 3
VL  - 28
DO  - 10.3390/molecules28031167
SP  - 1167
ER  - 

@article{
author = "Merlani, Maia and Nadaraia, Nanuli and Amiranashvili, Lela and Petrou, Anthi and Geronikaki, Athina and Ćirić, Ana and Glamočlija, Jasmina and Carević, Tamara and Soković, Marina",
year = "2023",
abstract = "Twelve steroid based hydrazones were in silico evaluated using computer program PASS as antimicrobial agents. The experimental evaluation revealed that all compounds have low to moderate antibacterial activity against all bacteria tested, except for B.cereus with MIC at a range of 0.37–3.00 mg/mL and MBC at 0.75–6.00 mg/mL. The most potent appeared to be compound 11 with MIC/MBC of0.75/1.5 mg/mL, respectively. The evaluation of antibacterial activity against three resistant strains MRSA, E.coli and P.aeruginosa demonstrated superior activity of compounds against MRSA compared with ampicillin, which did not show bacteriostatic or bactericidal activities. All compounds exhibited good antifungal activity with MIC of 0.37–1.50 mg/mL and MFC of 1.50–3.00 mg/mL, but with different sensitivity against fungi tested. According to docking studies, 14-alpha demethylase inhibition may be responsible for antifungal activity. Two compounds were evaluated for their antibiofilm activity. Finally, drug-likeness and docking prediction were performed.",
publisher = "Basel: MDPI",
journal = "Molecules",
title = "Antimicrobial Activity of Some Steroidal Hydrazones",
number = "3",
volume = "28",
doi = "10.3390/molecules28031167",
pages = "1167"
}

Merlani, M., Nadaraia, N., Amiranashvili, L., Petrou, A., Geronikaki, A., Ćirić, A., Glamočlija, J., Carević, T.,& Soković, M.. (2023). Antimicrobial Activity of Some Steroidal Hydrazones. in Molecules
Basel: MDPI., 28(3), 1167.
https://doi.org/10.3390/molecules28031167

Merlani M, Nadaraia N, Amiranashvili L, Petrou A, Geronikaki A, Ćirić A, Glamočlija J, Carević T, Soković M. Antimicrobial Activity of Some Steroidal Hydrazones. in Molecules. 2023;28(3):1167.
doi:10.3390/molecules28031167 .

Merlani, Maia, Nadaraia, Nanuli, Amiranashvili, Lela, Petrou, Anthi, Geronikaki, Athina, Ćirić, Ana, Glamočlija, Jasmina, Carević, Tamara, Soković, Marina, "Antimicrobial Activity of Some Steroidal Hydrazones" in Molecules, 28, no. 3 (2023):1167,
https://doi.org/10.3390/molecules28031167 . .

TY  - JOUR
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Kartsev, Victor
AU  - Kousaxidis, Antonios
AU  - Papadimitriou-Tsantarliotou, Aliki
AU  - Kostić, Marina
AU  - Ivanov, Marija
AU  - Soković, Marina
AU  - Nicolaou, Ioannis
AU  - Vizirianakis, Ioannis S.
PY  - 2023
UR  - https://www.mdpi.com/1424-8247/16/1/131
UR  - http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC9865890
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5459
AB  - Herein, we report the experimental evaluation of the antimicrobial activity of seventeen new (Z)-methyl 3-(4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylate derivatives. All tested compounds exhibited antibacterial activity against eight Gram-positive and Gram-negative bacteria. Their activity exceeded those of ampicillin as well as streptomycin by 10-50 fold. The most sensitive bacterium was En. Cloacae, while E. coli was the most resistant one, followed by M. flavus. The most active compound appeared to be compound 8 with MIC at 0.004-0.03 mg/mL and MBC at 0.008-0.06 mg/mL. The antifungal activity of tested compounds was good to excellent with MIC in the range of 0.004-0.06 mg/mL, with compound 15 being the most potent. T. viride was the most sensitive fungal, while A. fumigatus was the most resistant one. Docking studies revealed that the inhibition of E. coli MurB is probably responsible for their antibacterial activity, while 14a-lanosterol demethylase of CYP51Ca is involved in the mechanism of antifungal activity. Furthermore, drug-likeness and ADMET profile prediction were performed. Finally, the cytotoxicity studies were performed for the most active compounds using MTT assay against normal MRC5 cells.
PB  - Basel: MDPI
T2  - Pharmaceuticals
T1  - N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents-In Silico and In Vitro Evaluation
IS  - 1
VL  - 16
DO  - 10.3390/ph16010131
SP  - 131
ER  - 

@article{
author = "Petrou, Anthi and Geronikaki, Athina and Kartsev, Victor and Kousaxidis, Antonios and Papadimitriou-Tsantarliotou, Aliki and Kostić, Marina and Ivanov, Marija and Soković, Marina and Nicolaou, Ioannis and Vizirianakis, Ioannis S.",
year = "2023",
abstract = "Herein, we report the experimental evaluation of the antimicrobial activity of seventeen new (Z)-methyl 3-(4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylate derivatives. All tested compounds exhibited antibacterial activity against eight Gram-positive and Gram-negative bacteria. Their activity exceeded those of ampicillin as well as streptomycin by 10-50 fold. The most sensitive bacterium was En. Cloacae, while E. coli was the most resistant one, followed by M. flavus. The most active compound appeared to be compound 8 with MIC at 0.004-0.03 mg/mL and MBC at 0.008-0.06 mg/mL. The antifungal activity of tested compounds was good to excellent with MIC in the range of 0.004-0.06 mg/mL, with compound 15 being the most potent. T. viride was the most sensitive fungal, while A. fumigatus was the most resistant one. Docking studies revealed that the inhibition of E. coli MurB is probably responsible for their antibacterial activity, while 14a-lanosterol demethylase of CYP51Ca is involved in the mechanism of antifungal activity. Furthermore, drug-likeness and ADMET profile prediction were performed. Finally, the cytotoxicity studies were performed for the most active compounds using MTT assay against normal MRC5 cells.",
publisher = "Basel: MDPI",
journal = "Pharmaceuticals",
title = "N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents-In Silico and In Vitro Evaluation",
number = "1",
volume = "16",
doi = "10.3390/ph16010131",
pages = "131"
}

Petrou, A., Geronikaki, A., Kartsev, V., Kousaxidis, A., Papadimitriou-Tsantarliotou, A., Kostić, M., Ivanov, M., Soković, M., Nicolaou, I.,& Vizirianakis, I. S.. (2023). N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents-In Silico and In Vitro Evaluation. in Pharmaceuticals
Basel: MDPI., 16(1), 131.
https://doi.org/10.3390/ph16010131

Petrou A, Geronikaki A, Kartsev V, Kousaxidis A, Papadimitriou-Tsantarliotou A, Kostić M, Ivanov M, Soković M, Nicolaou I, Vizirianakis IS. N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents-In Silico and In Vitro Evaluation. in Pharmaceuticals. 2023;16(1):131.
doi:10.3390/ph16010131 .

Petrou, Anthi, Geronikaki, Athina, Kartsev, Victor, Kousaxidis, Antonios, Papadimitriou-Tsantarliotou, Aliki, Kostić, Marina, Ivanov, Marija, Soković, Marina, Nicolaou, Ioannis, Vizirianakis, Ioannis S., "N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents-In Silico and In Vitro Evaluation" in Pharmaceuticals, 16, no. 1 (2023):131,
https://doi.org/10.3390/ph16010131 . .

TY  - JOUR
AU  - Tratrat, Christophe
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Ivanov, Marija
AU  - Kostić, Marina
AU  - Soković, Marina
AU  - Vizirianakis, Ioannis S.
AU  - Theodoroula, Nikoleta F.
AU  - Haroun, Michelyne
PY  - 2022
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/4936
AB  - Herein, we report computational and experimental evaluations of the antimicrobial activity of twenty one 2,3-diaryl-thiazolidin-4-ones. All synthesized compounds exhibited an antibacterial activity against six Gram-positive and Gram-negative bacteria to different extents. Thus, the MIC was in the range of 0.008–0.24 mg/mL, while the MBC was 0.0016–0.48 mg/mL. The most sensitive bacterium was S. Typhimurium, whereas S. aureus was the most resistant. The best antibacterial activity was observed for compound 5 (MIC at 0.008–0.06 mg/mL). The three most active compounds 5, 8, and 15, as well as compound 6, which were evaluated against three resistant strains, MRSA, P. aeruginosa, and E. coli, were more potent against all bacterial strains used than ampicillin. The antifungal activity of some compounds exceeded or were equipotent with those of the reference antifungal agents bifonazole and ketoconazole. The best activity was expressed by compound 5. All compounds exhibited moderate to good drug-likeness scores ranging from −0.39 to 0.39. The docking studies indicated a probable involvement of E. coli Mur B inhibition in the antibacterial action, while CYP51 inhibition is likely responsible for the antifungal activity of the tested compounds. Finally, the assessment of cellular cytotoxicity of the compounds in normal human MRC-5 cells revealed that the compounds were not toxic. View Full-Text
PB  - Basel: MDPI
T2  - Molecules
T1  - Thiazolidin-4-Ones as Potential Antimicrobial Agents: Experimental and In Silico Evaluation
IS  - 6
VL  - 27
DO  - 10.3390/molecules27061930
SP  - 1930
ER  - 

@article{
author = "Tratrat, Christophe and Petrou, Anthi and Geronikaki, Athina and Ivanov, Marija and Kostić, Marina and Soković, Marina and Vizirianakis, Ioannis S. and Theodoroula, Nikoleta F. and Haroun, Michelyne",
year = "2022",
abstract = "Herein, we report computational and experimental evaluations of the antimicrobial activity of twenty one 2,3-diaryl-thiazolidin-4-ones. All synthesized compounds exhibited an antibacterial activity against six Gram-positive and Gram-negative bacteria to different extents. Thus, the MIC was in the range of 0.008–0.24 mg/mL, while the MBC was 0.0016–0.48 mg/mL. The most sensitive bacterium was S. Typhimurium, whereas S. aureus was the most resistant. The best antibacterial activity was observed for compound 5 (MIC at 0.008–0.06 mg/mL). The three most active compounds 5, 8, and 15, as well as compound 6, which were evaluated against three resistant strains, MRSA, P. aeruginosa, and E. coli, were more potent against all bacterial strains used than ampicillin. The antifungal activity of some compounds exceeded or were equipotent with those of the reference antifungal agents bifonazole and ketoconazole. The best activity was expressed by compound 5. All compounds exhibited moderate to good drug-likeness scores ranging from −0.39 to 0.39. The docking studies indicated a probable involvement of E. coli Mur B inhibition in the antibacterial action, while CYP51 inhibition is likely responsible for the antifungal activity of the tested compounds. Finally, the assessment of cellular cytotoxicity of the compounds in normal human MRC-5 cells revealed that the compounds were not toxic. View Full-Text",
publisher = "Basel: MDPI",
journal = "Molecules",
title = "Thiazolidin-4-Ones as Potential Antimicrobial Agents: Experimental and In Silico Evaluation",
number = "6",
volume = "27",
doi = "10.3390/molecules27061930",
pages = "1930"
}

Tratrat, C., Petrou, A., Geronikaki, A., Ivanov, M., Kostić, M., Soković, M., Vizirianakis, I. S., Theodoroula, N. F.,& Haroun, M.. (2022). Thiazolidin-4-Ones as Potential Antimicrobial Agents: Experimental and In Silico Evaluation. in Molecules
Basel: MDPI., 27(6), 1930.
https://doi.org/10.3390/molecules27061930

Tratrat C, Petrou A, Geronikaki A, Ivanov M, Kostić M, Soković M, Vizirianakis IS, Theodoroula NF, Haroun M. Thiazolidin-4-Ones as Potential Antimicrobial Agents: Experimental and In Silico Evaluation. in Molecules. 2022;27(6):1930.
doi:10.3390/molecules27061930 .

Tratrat, Christophe, Petrou, Anthi, Geronikaki, Athina, Ivanov, Marija, Kostić, Marina, Soković, Marina, Vizirianakis, Ioannis S., Theodoroula, Nikoleta F., Haroun, Michelyne, "Thiazolidin-4-Ones as Potential Antimicrobial Agents: Experimental and In Silico Evaluation" in Molecules, 27, no. 6 (2022):1930,
https://doi.org/10.3390/molecules27061930 . .

TY  - JOUR
AU  - Pogrebnoi, Serghei
AU  - Radul, Oleg
AU  - Stingaci, Eugenia
AU  - Lupascu, Lucian
AU  - Valica, Vladimir
AU  - Uncu, Livia
AU  - Smetanscaia, Anastasia
AU  - Petrou, Anthi
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
AU  - Geronikaki, Athina
AU  - Macaev, Fliur Z.
PY  - 2022
UR  - https://www.mdpi.com/2079-6382/11/5/588
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/4982
AB  - The control of fungal pathogens is increasingly difficult due to the limited number of effective drugs available for antifungal therapy. In addition, both humans and fungi are eukaryotic organisms; antifungal drugs may have significant toxicity due to the inhibition of related human targets. Furthermore, another problem is increased incidents of fungal resistance to azoles, such as fluconazole, ketoconazole, voriconazole, etc. Thus, the interest in developing new azoles with an extended spectrum of activity still attracts the interest of the scientific community. Herein, we report the synthesis of a series of triazolium salts, an evaluation of their antifungal activity, and docking studies. Ketoconazole and bifonazole were used as reference drugs. All compounds showed good antifungal activity with MIC/MFC in the range of 0.0003 to 0.2/0.0006-0.4 mg/mL. Compound 19 exhibited the best activity among all tested with MIC/MFC in the range of 0.009 to 0.037 mg/mL and 0.0125-0.05 mg/mL, respectively. All compounds appeared to be more potent than both reference drugs. The docking studies are in accordance with experimental results.
PB  - Basel: MDPI
T2  - Antibiotics (Basel, Switzerland)
T1  - The Synthesis of Triazolium Salts as Antifungal Agents: A Biological and In Silico Evaluation.
IS  - 5
VL  - 11
DO  - 10.3390/antibiotics11050588
SP  - 588
ER  - 

@article{
author = "Pogrebnoi, Serghei and Radul, Oleg and Stingaci, Eugenia and Lupascu, Lucian and Valica, Vladimir and Uncu, Livia and Smetanscaia, Anastasia and Petrou, Anthi and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina and Geronikaki, Athina and Macaev, Fliur Z.",
year = "2022",
abstract = "The control of fungal pathogens is increasingly difficult due to the limited number of effective drugs available for antifungal therapy. In addition, both humans and fungi are eukaryotic organisms; antifungal drugs may have significant toxicity due to the inhibition of related human targets. Furthermore, another problem is increased incidents of fungal resistance to azoles, such as fluconazole, ketoconazole, voriconazole, etc. Thus, the interest in developing new azoles with an extended spectrum of activity still attracts the interest of the scientific community. Herein, we report the synthesis of a series of triazolium salts, an evaluation of their antifungal activity, and docking studies. Ketoconazole and bifonazole were used as reference drugs. All compounds showed good antifungal activity with MIC/MFC in the range of 0.0003 to 0.2/0.0006-0.4 mg/mL. Compound 19 exhibited the best activity among all tested with MIC/MFC in the range of 0.009 to 0.037 mg/mL and 0.0125-0.05 mg/mL, respectively. All compounds appeared to be more potent than both reference drugs. The docking studies are in accordance with experimental results.",
publisher = "Basel: MDPI",
journal = "Antibiotics (Basel, Switzerland)",
title = "The Synthesis of Triazolium Salts as Antifungal Agents: A Biological and In Silico Evaluation.",
number = "5",
volume = "11",
doi = "10.3390/antibiotics11050588",
pages = "588"
}

Pogrebnoi, S., Radul, O., Stingaci, E., Lupascu, L., Valica, V., Uncu, L., Smetanscaia, A., Petrou, A., Ćirić, A., Glamočlija, J., Soković, M., Geronikaki, A.,& Macaev, F. Z.. (2022). The Synthesis of Triazolium Salts as Antifungal Agents: A Biological and In Silico Evaluation.. in Antibiotics (Basel, Switzerland)
Basel: MDPI., 11(5), 588.
https://doi.org/10.3390/antibiotics11050588

Pogrebnoi S, Radul O, Stingaci E, Lupascu L, Valica V, Uncu L, Smetanscaia A, Petrou A, Ćirić A, Glamočlija J, Soković M, Geronikaki A, Macaev FZ. The Synthesis of Triazolium Salts as Antifungal Agents: A Biological and In Silico Evaluation.. in Antibiotics (Basel, Switzerland). 2022;11(5):588.
doi:10.3390/antibiotics11050588 .

Pogrebnoi, Serghei, Radul, Oleg, Stingaci, Eugenia, Lupascu, Lucian, Valica, Vladimir, Uncu, Livia, Smetanscaia, Anastasia, Petrou, Anthi, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, Geronikaki, Athina, Macaev, Fliur Z., "The Synthesis of Triazolium Salts as Antifungal Agents: A Biological and In Silico Evaluation." in Antibiotics (Basel, Switzerland), 11, no. 5 (2022):588,
https://doi.org/10.3390/antibiotics11050588 . .

TY  - JOUR
AU  - Zubenko, Alexander
AU  - Kartsev, Victor
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Ivanov, Marija
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
AU  - Divaeva, Lyudmila
AU  - Morkovnik, Anatolii
AU  - Klimenko, Alexander
PY  - 2022
UR  - https://www.mdpi.com/2079-6382/11/11/1654
UR  - http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC9686863
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5399
AB  - In this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed that these compounds showed moderate antibacterial activity. Compound 2j was found to be the most potent (MIC/MBC at 0.23-0.94 mg/mL and 0.47-1.88 mg/mL) On the other hand, compounds showed good antifungal activity (MIC/MFC at 0.06-0.47 and 0.11-0.94 mg/mL respectively) with 2d being the most active one. The docking studies revealed that inhibition of E. coli MurB and 14-lanosterol demethylase probably represent the mechanism of antibacterial and antifungal activities.
PB  - Basel: MDPI
T2  - Antibiotics
T1  - Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents
IS  - 11
VL  - 11
DO  - 10.3390/antibiotics11111654
SP  - 1654
ER  - 

@article{
author = "Zubenko, Alexander and Kartsev, Victor and Petrou, Anthi and Geronikaki, Athina and Ivanov, Marija and Glamočlija, Jasmina and Soković, Marina and Divaeva, Lyudmila and Morkovnik, Anatolii and Klimenko, Alexander",
year = "2022",
abstract = "In this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed that these compounds showed moderate antibacterial activity. Compound 2j was found to be the most potent (MIC/MBC at 0.23-0.94 mg/mL and 0.47-1.88 mg/mL) On the other hand, compounds showed good antifungal activity (MIC/MFC at 0.06-0.47 and 0.11-0.94 mg/mL respectively) with 2d being the most active one. The docking studies revealed that inhibition of E. coli MurB and 14-lanosterol demethylase probably represent the mechanism of antibacterial and antifungal activities.",
publisher = "Basel: MDPI",
journal = "Antibiotics",
title = "Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents",
number = "11",
volume = "11",
doi = "10.3390/antibiotics11111654",
pages = "1654"
}

Zubenko, A., Kartsev, V., Petrou, A., Geronikaki, A., Ivanov, M., Glamočlija, J., Soković, M., Divaeva, L., Morkovnik, A.,& Klimenko, A.. (2022). Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents. in Antibiotics
Basel: MDPI., 11(11), 1654.
https://doi.org/10.3390/antibiotics11111654

Zubenko A, Kartsev V, Petrou A, Geronikaki A, Ivanov M, Glamočlija J, Soković M, Divaeva L, Morkovnik A, Klimenko A. Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents. in Antibiotics. 2022;11(11):1654.
doi:10.3390/antibiotics11111654 .

Zubenko, Alexander, Kartsev, Victor, Petrou, Anthi, Geronikaki, Athina, Ivanov, Marija, Glamočlija, Jasmina, Soković, Marina, Divaeva, Lyudmila, Morkovnik, Anatolii, Klimenko, Alexander, "Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents" in Antibiotics, 11, no. 11 (2022):1654,
https://doi.org/10.3390/antibiotics11111654 . .

TY  - JOUR
AU  - Kartsev, Victor
AU  - Geronikaki, Athina
AU  - Zubenko, Alexander
AU  - Petrou, Anthi
AU  - Ivanov, Marija
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
AU  - Divaeva, Lyudmila
AU  - Morkovnik, Anatolii
AU  - Klimenko, Alexander
PY  - 2022
UR  - http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC9658463
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5173
AB  - Herein, we report the design, synthesis, and evaluation of the antimicrobial activity of new heteroaryl (aryl) thiazole derivatives. The design was based on a molecular hybridization approach. The in vitro evaluation revealed that these compounds demonstrated moderate antibacterial activity. The best activity was achieved for compound 3, with MIC and MBC in the range of 0.23-0.7 and 0.47-0.94 mg/mL, respectively. Three compounds (2, 3, and 4) were tested against three resistant strains, namely methicillin resistant Staphylococcus aureus, P. aeruginosa, and E. coli, which showed higher potential than the reference drug ampicillin. Antifungal activity of the compounds was better with MIC and MFC in the range of 0.06-0.47 and 0.11-0.94 mg/mL, respectively. The best activity was observed for compound 9, with MIC at 0.06-0.23 mg/mL and MFC at 0.11-0.47 mg/mL. According to docking studies, the predicted inhibition of the E. coli MurB enzyme is a putative mechanism of the antibacterial activity of the compounds, while inhibition of 14a-lanosterol demethylase is probably the mechanism of their antifungal activity.
PB  - Basel: MDPI
T2  - Antibiotics
T1  - Synthesis and Antimicrobial Activity of New Heteroaryl(aryl) Thiazole Derivatives Molecular Docking Studies
IS  - 10
VL  - 11
DO  - 10.3390/antibiotics11101337
SP  - 1337
ER  - 

@article{
author = "Kartsev, Victor and Geronikaki, Athina and Zubenko, Alexander and Petrou, Anthi and Ivanov, Marija and Glamočlija, Jasmina and Soković, Marina and Divaeva, Lyudmila and Morkovnik, Anatolii and Klimenko, Alexander",
year = "2022",
abstract = "Herein, we report the design, synthesis, and evaluation of the antimicrobial activity of new heteroaryl (aryl) thiazole derivatives. The design was based on a molecular hybridization approach. The in vitro evaluation revealed that these compounds demonstrated moderate antibacterial activity. The best activity was achieved for compound 3, with MIC and MBC in the range of 0.23-0.7 and 0.47-0.94 mg/mL, respectively. Three compounds (2, 3, and 4) were tested against three resistant strains, namely methicillin resistant Staphylococcus aureus, P. aeruginosa, and E. coli, which showed higher potential than the reference drug ampicillin. Antifungal activity of the compounds was better with MIC and MFC in the range of 0.06-0.47 and 0.11-0.94 mg/mL, respectively. The best activity was observed for compound 9, with MIC at 0.06-0.23 mg/mL and MFC at 0.11-0.47 mg/mL. According to docking studies, the predicted inhibition of the E. coli MurB enzyme is a putative mechanism of the antibacterial activity of the compounds, while inhibition of 14a-lanosterol demethylase is probably the mechanism of their antifungal activity.",
publisher = "Basel: MDPI",
journal = "Antibiotics",
title = "Synthesis and Antimicrobial Activity of New Heteroaryl(aryl) Thiazole Derivatives Molecular Docking Studies",
number = "10",
volume = "11",
doi = "10.3390/antibiotics11101337",
pages = "1337"
}

Kartsev, V., Geronikaki, A., Zubenko, A., Petrou, A., Ivanov, M., Glamočlija, J., Soković, M., Divaeva, L., Morkovnik, A.,& Klimenko, A.. (2022). Synthesis and Antimicrobial Activity of New Heteroaryl(aryl) Thiazole Derivatives Molecular Docking Studies. in Antibiotics
Basel: MDPI., 11(10), 1337.
https://doi.org/10.3390/antibiotics11101337

Kartsev V, Geronikaki A, Zubenko A, Petrou A, Ivanov M, Glamočlija J, Soković M, Divaeva L, Morkovnik A, Klimenko A. Synthesis and Antimicrobial Activity of New Heteroaryl(aryl) Thiazole Derivatives Molecular Docking Studies. in Antibiotics. 2022;11(10):1337.
doi:10.3390/antibiotics11101337 .

Kartsev, Victor, Geronikaki, Athina, Zubenko, Alexander, Petrou, Anthi, Ivanov, Marija, Glamočlija, Jasmina, Soković, Marina, Divaeva, Lyudmila, Morkovnik, Anatolii, Klimenko, Alexander, "Synthesis and Antimicrobial Activity of New Heteroaryl(aryl) Thiazole Derivatives Molecular Docking Studies" in Antibiotics, 11, no. 10 (2022):1337,
https://doi.org/10.3390/antibiotics11101337 . .

TY  - JOUR
AU  - Sirakanyan, Samvel
AU  - Kartsev, Victor
AU  - Spinelli, Domenico
AU  - Geronikaki, Athina
AU  - Petrou, Anthi
AU  - Ivanov, Marija
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
AU  - Hakobyan, Elmira
AU  - Hovakimyan, Anush
PY  - 2021
UR  - https://onlinelibrary.wiley.com/doi/10.1002/ardp.202000208
UR  - http://www.ncbi.nlm.nih.gov/pubmed/33029832
UR  - https://radar.ibiss.bg.ac.rs/123456789/3916
AB  - In this study, we report the synthesis and antimicrobial activity of some new disubstituted piperazines. Thus, 3-chlorocyclopenta[c]pyridines and 6-chloropyrano[3,4-c]pyridine 1 under mild reaction conditions with piperazine gave the 3(6)-piperazine-substituted cyclopenta[c]pyridines and pyrano[3,4-c]pyridine 2. Furthermore, the latter, by alkylation with 2-chloro-N-1,3-thiazol-2-ylacetamide, led to the formation of the target compounds. The evaluation of the antibacterial activity revealed that 3k was the most potent compound. The most sensitive bacterium was found to be Listeria monocytogenes, whereas Staphylococcus aureus was the most resistant one. Three compounds, 3d, 3g, and 3k, were tested also against the following resistant strains: methicillin-resistant S. aureus (MRSA), Escherichia coli, and Pseudomonas aeruginosa. All three compounds appeared to be more potent than ampicillin against MRSA. Moreover, compound 3d showed a better activity than the reference drug ampicillin against P. aeruginosa, whereas 3g was more efficient against E. coli. The best antifungal activity was observed again for compound 3k. The most resistant fungi appeared to be Aspergillus fumigatus, whereas Trichoderma viride seemed the most sensitive one toward the compounds tested. Molecular docking studies on E. coli MurB, as well as on Candida albicans CYP51 and dihydrofolate reductase, were used for the prediction of the mechanisms of the antibacterial and antifungal activities, confirming the experimental results.
PB  - Wiley-VCH Verlag
T2  - Archiv der Pharmazie
T1  - Synthesis and antimicrobial activity of new 2-piperazin-1-yl-N-1,3-thiazol-2-ylacetamides of cyclopenta[c]pyridines and pyrano[3,4-c]pyridines.
IS  - 1
VL  - 354
DO  - 10.1002/ardp.202000208
SP  - e2000208
SP  - 2000208
ER  - 

@article{
author = "Sirakanyan, Samvel and Kartsev, Victor and Spinelli, Domenico and Geronikaki, Athina and Petrou, Anthi and Ivanov, Marija and Glamočlija, Jasmina and Soković, Marina and Hakobyan, Elmira and Hovakimyan, Anush",
year = "2021",
abstract = "In this study, we report the synthesis and antimicrobial activity of some new disubstituted piperazines. Thus, 3-chlorocyclopenta[c]pyridines and 6-chloropyrano[3,4-c]pyridine 1 under mild reaction conditions with piperazine gave the 3(6)-piperazine-substituted cyclopenta[c]pyridines and pyrano[3,4-c]pyridine 2. Furthermore, the latter, by alkylation with 2-chloro-N-1,3-thiazol-2-ylacetamide, led to the formation of the target compounds. The evaluation of the antibacterial activity revealed that 3k was the most potent compound. The most sensitive bacterium was found to be Listeria monocytogenes, whereas Staphylococcus aureus was the most resistant one. Three compounds, 3d, 3g, and 3k, were tested also against the following resistant strains: methicillin-resistant S. aureus (MRSA), Escherichia coli, and Pseudomonas aeruginosa. All three compounds appeared to be more potent than ampicillin against MRSA. Moreover, compound 3d showed a better activity than the reference drug ampicillin against P. aeruginosa, whereas 3g was more efficient against E. coli. The best antifungal activity was observed again for compound 3k. The most resistant fungi appeared to be Aspergillus fumigatus, whereas Trichoderma viride seemed the most sensitive one toward the compounds tested. Molecular docking studies on E. coli MurB, as well as on Candida albicans CYP51 and dihydrofolate reductase, were used for the prediction of the mechanisms of the antibacterial and antifungal activities, confirming the experimental results.",
publisher = "Wiley-VCH Verlag",
journal = "Archiv der Pharmazie",
title = "Synthesis and antimicrobial activity of new 2-piperazin-1-yl-N-1,3-thiazol-2-ylacetamides of cyclopenta[c]pyridines and pyrano[3,4-c]pyridines.",
number = "1",
volume = "354",
doi = "10.1002/ardp.202000208",
pages = "e2000208-2000208"
}

Sirakanyan, S., Kartsev, V., Spinelli, D., Geronikaki, A., Petrou, A., Ivanov, M., Glamočlija, J., Soković, M., Hakobyan, E.,& Hovakimyan, A.. (2021). Synthesis and antimicrobial activity of new 2-piperazin-1-yl-N-1,3-thiazol-2-ylacetamides of cyclopenta[c]pyridines and pyrano[3,4-c]pyridines.. in Archiv der Pharmazie
Wiley-VCH Verlag., 354(1), e2000208.
https://doi.org/10.1002/ardp.202000208

Sirakanyan S, Kartsev V, Spinelli D, Geronikaki A, Petrou A, Ivanov M, Glamočlija J, Soković M, Hakobyan E, Hovakimyan A. Synthesis and antimicrobial activity of new 2-piperazin-1-yl-N-1,3-thiazol-2-ylacetamides of cyclopenta[c]pyridines and pyrano[3,4-c]pyridines.. in Archiv der Pharmazie. 2021;354(1):e2000208.
doi:10.1002/ardp.202000208 .

Sirakanyan, Samvel, Kartsev, Victor, Spinelli, Domenico, Geronikaki, Athina, Petrou, Anthi, Ivanov, Marija, Glamočlija, Jasmina, Soković, Marina, Hakobyan, Elmira, Hovakimyan, Anush, "Synthesis and antimicrobial activity of new 2-piperazin-1-yl-N-1,3-thiazol-2-ylacetamides of cyclopenta[c]pyridines and pyrano[3,4-c]pyridines." in Archiv der Pharmazie, 354, no. 1 (2021):e2000208,
https://doi.org/10.1002/ardp.202000208 . .

TY  - JOUR
AU  - Haroun, Michelyne
AU  - Tratrat, Christophe
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Ivanov, Marija
AU  - Ćirić, Ana
AU  - Soković, Marina
PY  - 2021
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/4300
AB  - The search for new antimicrobial agents is greater than ever due to the perpetual threat of multidrug resistance in known pathogens and the relentless emergence of new infections. In this manuscript, ten thiazole-based thiazolidinone hybrids bearing a 6-trifluoromethoxy substituent on the benzothiazole core were synthesized and evaluated against a panel of four bacterial strains Salmonella typhimurium, Staphylococcus aureus, Escherichia coli and Listeria monocytogenes and three resistant strains Pseudomonas aeruginosa, E. coli and MRSA. The evaluation of minimum bactericidal and minimum inhibitory concentrations was accomplished by microdilution assay. As reference compounds ampicillin and streptomycin were employed. All compounds displayed antibacterial efficiencies with MBCs/MICs at 0.25-1 mg/mL and 0.12-1 mg/mL respectively while ampicillin displayed MBCs/MICs at 0.15-0.3 mg/mL and at 0.1-0.2 mg/mL respectively. MICs/MBC of streptomycin varied from 0.05 to 0.15 mg/mL and from 0.1 to 0.3 mg/mL respectively. The best overall effect was observed for compound h4, while compound h1 exhibited the highest effective action against E. coli (MIC/MBC 0.12/0.25 mg/ml) among all tested compounds.
PB  - Elsevier
T2  - Bioorganic & Medicinal Chemistry Letters
T1  - 2-Aryl-3-(6-trifluoromethoxy)benzo[d]thiazole-based thiazolidinone hybrids as potential anti-infective agents: Synthesis, biological evaluation and molecular docking studies
IS  - 15
VL  - 32
DO  - 10.1016/j.bmcl.2020.127718
SP  - 127718
ER  - 

@article{
author = "Haroun, Michelyne and Tratrat, Christophe and Petrou, Anthi and Geronikaki, Athina and Ivanov, Marija and Ćirić, Ana and Soković, Marina",
year = "2021",
abstract = "The search for new antimicrobial agents is greater than ever due to the perpetual threat of multidrug resistance in known pathogens and the relentless emergence of new infections. In this manuscript, ten thiazole-based thiazolidinone hybrids bearing a 6-trifluoromethoxy substituent on the benzothiazole core were synthesized and evaluated against a panel of four bacterial strains Salmonella typhimurium, Staphylococcus aureus, Escherichia coli and Listeria monocytogenes and three resistant strains Pseudomonas aeruginosa, E. coli and MRSA. The evaluation of minimum bactericidal and minimum inhibitory concentrations was accomplished by microdilution assay. As reference compounds ampicillin and streptomycin were employed. All compounds displayed antibacterial efficiencies with MBCs/MICs at 0.25-1 mg/mL and 0.12-1 mg/mL respectively while ampicillin displayed MBCs/MICs at 0.15-0.3 mg/mL and at 0.1-0.2 mg/mL respectively. MICs/MBC of streptomycin varied from 0.05 to 0.15 mg/mL and from 0.1 to 0.3 mg/mL respectively. The best overall effect was observed for compound h4, while compound h1 exhibited the highest effective action against E. coli (MIC/MBC 0.12/0.25 mg/ml) among all tested compounds.",
publisher = "Elsevier",
journal = "Bioorganic & Medicinal Chemistry Letters",
title = "2-Aryl-3-(6-trifluoromethoxy)benzo[d]thiazole-based thiazolidinone hybrids as potential anti-infective agents: Synthesis, biological evaluation and molecular docking studies",
number = "15",
volume = "32",
doi = "10.1016/j.bmcl.2020.127718",
pages = "127718"
}

Haroun, M., Tratrat, C., Petrou, A., Geronikaki, A., Ivanov, M., Ćirić, A.,& Soković, M.. (2021). 2-Aryl-3-(6-trifluoromethoxy)benzo[d]thiazole-based thiazolidinone hybrids as potential anti-infective agents: Synthesis, biological evaluation and molecular docking studies. in Bioorganic & Medicinal Chemistry Letters
Elsevier., 32(15), 127718.
https://doi.org/10.1016/j.bmcl.2020.127718

Haroun M, Tratrat C, Petrou A, Geronikaki A, Ivanov M, Ćirić A, Soković M. 2-Aryl-3-(6-trifluoromethoxy)benzo[d]thiazole-based thiazolidinone hybrids as potential anti-infective agents: Synthesis, biological evaluation and molecular docking studies. in Bioorganic & Medicinal Chemistry Letters. 2021;32(15):127718.
doi:10.1016/j.bmcl.2020.127718 .

Haroun, Michelyne, Tratrat, Christophe, Petrou, Anthi, Geronikaki, Athina, Ivanov, Marija, Ćirić, Ana, Soković, Marina, "2-Aryl-3-(6-trifluoromethoxy)benzo[d]thiazole-based thiazolidinone hybrids as potential anti-infective agents: Synthesis, biological evaluation and molecular docking studies" in Bioorganic & Medicinal Chemistry Letters, 32, no. 15 (2021):127718,
https://doi.org/10.1016/j.bmcl.2020.127718 . .

TY  - JOUR
AU  - Kamoutsis, Charalampos
AU  - Fesatidou, Maria
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Poroikov, Vladimir
AU  - Ivanov, Marija
AU  - Soković, Marina
AU  - Ćirić, Ana
AU  - Carazo, Alejandro
AU  - Mladenka, Premysl
PY  - 2021
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/4298
AB  - The goal of this research is to investigate the antimicrobial activity of nineteen previously
synthesized 3,6-disubstituted-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives. The compounds were
tested against a panel of three Gram-positive and three Gram-negative bacteria, three resistant strains,
and six fungi. Minimal inhibitory, bactericidal, and fungicidal concentrations were determined by a
microdilution method. All of the compounds showed antibacterial activity that was more potent
than both reference drugs, ampicillin and streptomycin, against all bacteria tested. Similarly, they
were also more active against resistant bacterial strains. The antifungal activity of the compounds
was up to 80-fold higher than ketoconazole and from 3 to 40 times higher than bifonazole, both of
which were used as reference drugs. The most active compounds (2, 3, 6, 7, and 19) were tested for
their inhibition of P. aeruginosa biofilm formation. Among them, compound 3 showed significantly
higher antibiofilm activity and appeared to be equipotent with ampicillin. The prediction of the
probable mechanism by docking on antibacterial targets revealed that E. coli MurB is the most suitable
enzyme, while docking studies on antifungal targets indicated a probable involvement of CYP51 in
the mechanism of antifungal activity. Finally, the toxicity testing in human cells confirmed their low
toxicity both in cancerous cell line MCF7 and non-cancerous cell line HK-2.
PB  - MDPI
T2  - Antibiotics
T1  - Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies
IS  - 7
VL  - 10
DO  - 10.3390/antibiotics10070804
SP  - 804
ER  - 

@article{
author = "Kamoutsis, Charalampos and Fesatidou, Maria and Petrou, Anthi and Geronikaki, Athina and Poroikov, Vladimir and Ivanov, Marija and Soković, Marina and Ćirić, Ana and Carazo, Alejandro and Mladenka, Premysl",
year = "2021",
abstract = "The goal of this research is to investigate the antimicrobial activity of nineteen previously
synthesized 3,6-disubstituted-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives. The compounds were
tested against a panel of three Gram-positive and three Gram-negative bacteria, three resistant strains,
and six fungi. Minimal inhibitory, bactericidal, and fungicidal concentrations were determined by a
microdilution method. All of the compounds showed antibacterial activity that was more potent
than both reference drugs, ampicillin and streptomycin, against all bacteria tested. Similarly, they
were also more active against resistant bacterial strains. The antifungal activity of the compounds
was up to 80-fold higher than ketoconazole and from 3 to 40 times higher than bifonazole, both of
which were used as reference drugs. The most active compounds (2, 3, 6, 7, and 19) were tested for
their inhibition of P. aeruginosa biofilm formation. Among them, compound 3 showed significantly
higher antibiofilm activity and appeared to be equipotent with ampicillin. The prediction of the
probable mechanism by docking on antibacterial targets revealed that E. coli MurB is the most suitable
enzyme, while docking studies on antifungal targets indicated a probable involvement of CYP51 in
the mechanism of antifungal activity. Finally, the toxicity testing in human cells confirmed their low
toxicity both in cancerous cell line MCF7 and non-cancerous cell line HK-2.",
publisher = "MDPI",
journal = "Antibiotics",
title = "Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies",
number = "7",
volume = "10",
doi = "10.3390/antibiotics10070804",
pages = "804"
}

Kamoutsis, C., Fesatidou, M., Petrou, A., Geronikaki, A., Poroikov, V., Ivanov, M., Soković, M., Ćirić, A., Carazo, A.,& Mladenka, P.. (2021). Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies. in Antibiotics
MDPI., 10(7), 804.
https://doi.org/10.3390/antibiotics10070804

Kamoutsis C, Fesatidou M, Petrou A, Geronikaki A, Poroikov V, Ivanov M, Soković M, Ćirić A, Carazo A, Mladenka P. Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies. in Antibiotics. 2021;10(7):804.
doi:10.3390/antibiotics10070804 .

Kamoutsis, Charalampos, Fesatidou, Maria, Petrou, Anthi, Geronikaki, Athina, Poroikov, Vladimir, Ivanov, Marija, Soković, Marina, Ćirić, Ana, Carazo, Alejandro, Mladenka, Premysl, "Triazolo Based-Thiadiazole Derivatives. Synthesis, Biological Evaluation and Molecular Docking Studies" in Antibiotics, 10, no. 7 (2021):804,
https://doi.org/10.3390/antibiotics10070804 . .

TY  - JOUR
AU  - Simakov, Sergei
AU  - Kartsev, Victor
AU  - Petrou, Anthi
AU  - Nicolaou, Ioannis
AU  - Geronikaki, Athina
AU  - Ivanov, Marija
AU  - Kostić, Marina
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
AU  - Talea, Despoina
AU  - Vizirianakis, Ioannis S.
PY  - 2021
UR  - https://www.mdpi.com/1424-8247/14/11/1096
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/4663
AB  - This manuscript deals with the synthesis and computational and experimental evaluation of the antimicrobial activity of twenty-nine 4-(indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole acylamines. An evaluation of antibacterial activity against Gram (+) and Gram (−) bacteria revealed that the MIC of indole derivatives is in the range of 0.06–1.88 mg/mL, while among fourteen methylindole derivatives, only six were active, with an MIC in the range of of 0.47–1.88 mg/mL. S. aureus appeared to be the most resistant strain, while S. Typhimurium was the most sensitive. Compound 5x was the most promising, with an MIC in the range of 0.06–0.12 mg/mL, followed by 5d and 5m. An evaluation of these three compounds against resistant strains, namely MRSA P. aeruginosa and E. coli, revealed that they were more potent against MRSA than ampicillin. Furthermore, compounds 5m and 5x were superior inhibitors of biofilm formation, compared to ampicillin and streptomycin, in terms Compounds 5d, 5m, and 5x interact with streptomycin in additive manner. The antifungal activity of some compounds exceeded or was equipotent to those of the reference antifungal agents bifonazole and ketoconazole. The most potent antifungal agent was found to be compound 5g. Drug likeness scores of compounds was in a range of −0.63 to 0.29, which is moderate to good. According to docking studies, E. coli MurB inhibition is probably responsible for the antibacterial activity of compounds, whereas CYP51 inhibition was implicated in antifungal activity. Compounds appeared to be non-toxic, according to the cytotoxicity assessment in MRC-5 cells.
PB  - Basel: MDPI
T2  - Pharmaceuticals
T1  - 4-(Indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole Acylamines as Νovel Antimicrobial Agents: Synthesis, In Silico and In Vitro Evaluation
IS  - 11
VL  - 14
DO  - 10.3390/ph14111096
SP  - 1096
ER  - 

@article{
author = "Simakov, Sergei and Kartsev, Victor and Petrou, Anthi and Nicolaou, Ioannis and Geronikaki, Athina and Ivanov, Marija and Kostić, Marina and Glamočlija, Jasmina and Soković, Marina and Talea, Despoina and Vizirianakis, Ioannis S.",
year = "2021",
abstract = "This manuscript deals with the synthesis and computational and experimental evaluation of the antimicrobial activity of twenty-nine 4-(indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole acylamines. An evaluation of antibacterial activity against Gram (+) and Gram (−) bacteria revealed that the MIC of indole derivatives is in the range of 0.06–1.88 mg/mL, while among fourteen methylindole derivatives, only six were active, with an MIC in the range of of 0.47–1.88 mg/mL. S. aureus appeared to be the most resistant strain, while S. Typhimurium was the most sensitive. Compound 5x was the most promising, with an MIC in the range of 0.06–0.12 mg/mL, followed by 5d and 5m. An evaluation of these three compounds against resistant strains, namely MRSA P. aeruginosa and E. coli, revealed that they were more potent against MRSA than ampicillin. Furthermore, compounds 5m and 5x were superior inhibitors of biofilm formation, compared to ampicillin and streptomycin, in terms Compounds 5d, 5m, and 5x interact with streptomycin in additive manner. The antifungal activity of some compounds exceeded or was equipotent to those of the reference antifungal agents bifonazole and ketoconazole. The most potent antifungal agent was found to be compound 5g. Drug likeness scores of compounds was in a range of −0.63 to 0.29, which is moderate to good. According to docking studies, E. coli MurB inhibition is probably responsible for the antibacterial activity of compounds, whereas CYP51 inhibition was implicated in antifungal activity. Compounds appeared to be non-toxic, according to the cytotoxicity assessment in MRC-5 cells.",
publisher = "Basel: MDPI",
journal = "Pharmaceuticals",
title = "4-(Indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole Acylamines as Νovel Antimicrobial Agents: Synthesis, In Silico and In Vitro Evaluation",
number = "11",
volume = "14",
doi = "10.3390/ph14111096",
pages = "1096"
}

Simakov, S., Kartsev, V., Petrou, A., Nicolaou, I., Geronikaki, A., Ivanov, M., Kostić, M., Glamočlija, J., Soković, M., Talea, D.,& Vizirianakis, I. S.. (2021). 4-(Indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole Acylamines as Νovel Antimicrobial Agents: Synthesis, In Silico and In Vitro Evaluation. in Pharmaceuticals
Basel: MDPI., 14(11), 1096.
https://doi.org/10.3390/ph14111096

Simakov S, Kartsev V, Petrou A, Nicolaou I, Geronikaki A, Ivanov M, Kostić M, Glamočlija J, Soković M, Talea D, Vizirianakis IS. 4-(Indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole Acylamines as Νovel Antimicrobial Agents: Synthesis, In Silico and In Vitro Evaluation. in Pharmaceuticals. 2021;14(11):1096.
doi:10.3390/ph14111096 .

Simakov, Sergei, Kartsev, Victor, Petrou, Anthi, Nicolaou, Ioannis, Geronikaki, Athina, Ivanov, Marija, Kostić, Marina, Glamočlija, Jasmina, Soković, Marina, Talea, Despoina, Vizirianakis, Ioannis S., "4-(Indol-3-yl)thiazole-2-amines and 4-ιndol-3-yl)thiazole Acylamines as Νovel Antimicrobial Agents: Synthesis, In Silico and In Vitro Evaluation" in Pharmaceuticals, 14, no. 11 (2021):1096,
https://doi.org/10.3390/ph14111096 . .

TY  - JOUR
AU  - Geronikaki, Athina
AU  - Kartsev, Victor
AU  - Eleftheriou, Phaedra
AU  - Petrou, Anthi
AU  - Glamočlija, Jasmina
AU  - Ćirić, Ana
AU  - Soković, Marina
PY  - 2020
UR  - https://www.eurekaselect.com/186178/article
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/4000
AB  - Background: Although a great number of the targets of antimicrobial therapy have been achieved, it remains among the first fields of pharmaceutical research, mainly because of the development of resistant strains. Docking analysis may be an important tool in the research for the development of more effective agents against specific drug targets or multi-target agents 1-3. Methods: In the present study, based on docking analysis, ten tetrahydrothiazolo[2,3-a]isoindole derivatives were chosen for the evaluation of the antimicrobial activity. Results: All compounds showed antibacterial activity against eight Gram-positive and Gram-negative bacterial species being, in some cases, more potent than ampicillin and streptomycin against all species. The most sensitive bacteria appeared to be S. aureus and En. Cloacae, while M. flavus, E. coli and P. aeruginosa were the most resistant ones. The compounds were also tested for their antifungal activity against eight fungal species. All compounds exhibited good antifungal activity better than reference drugs bifonazole (1.4 – 41 folds) and ketoconazole (1.1 – 406 folds) against all fungal species. In order to elucidate the mechanism of action, docking studies on different antimicrobial targets were performed. Conclusion: According to docking analysis, the antifungal activity can be explained by the inhibition of the CYP51 enzyme for most compounds with a better correlation of the results obtained for the P.v.c. strain (linear regression between estimated binding Energy and log(1/MIC) with R 2 =0.867 and p=0.000091 or R 2 = 0.924, p= 0.000036, when compound 3 is excluded.
PB  - Bentham Science Publishers Ltd.
T2  - Current Topics in Medicinal Chemistry
T1  - Substituted 6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-1,1-dioxidederivatives with antimicrobial activity and docking assisted prediction of the mechanism of their antibacterial and antifungal properties
IS  - 29
VL  - 20
DO  - 10.2174/1568026620666200922114735
SP  - 2681
EP  - 2691
ER  - 

@article{
author = "Geronikaki, Athina and Kartsev, Victor and Eleftheriou, Phaedra and Petrou, Anthi and Glamočlija, Jasmina and Ćirić, Ana and Soković, Marina",
year = "2020",
abstract = "Background: Although a great number of the targets of antimicrobial therapy have been achieved, it remains among the first fields of pharmaceutical research, mainly because of the development of resistant strains. Docking analysis may be an important tool in the research for the development of more effective agents against specific drug targets or multi-target agents 1-3. Methods: In the present study, based on docking analysis, ten tetrahydrothiazolo[2,3-a]isoindole derivatives were chosen for the evaluation of the antimicrobial activity. Results: All compounds showed antibacterial activity against eight Gram-positive and Gram-negative bacterial species being, in some cases, more potent than ampicillin and streptomycin against all species. The most sensitive bacteria appeared to be S. aureus and En. Cloacae, while M. flavus, E. coli and P. aeruginosa were the most resistant ones. The compounds were also tested for their antifungal activity against eight fungal species. All compounds exhibited good antifungal activity better than reference drugs bifonazole (1.4 – 41 folds) and ketoconazole (1.1 – 406 folds) against all fungal species. In order to elucidate the mechanism of action, docking studies on different antimicrobial targets were performed. Conclusion: According to docking analysis, the antifungal activity can be explained by the inhibition of the CYP51 enzyme for most compounds with a better correlation of the results obtained for the P.v.c. strain (linear regression between estimated binding Energy and log(1/MIC) with R 2 =0.867 and p=0.000091 or R 2 = 0.924, p= 0.000036, when compound 3 is excluded.",
publisher = "Bentham Science Publishers Ltd.",
journal = "Current Topics in Medicinal Chemistry",
title = "Substituted 6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-1,1-dioxidederivatives with antimicrobial activity and docking assisted prediction of the mechanism of their antibacterial and antifungal properties",
number = "29",
volume = "20",
doi = "10.2174/1568026620666200922114735",
pages = "2681-2691"
}

Geronikaki, A., Kartsev, V., Eleftheriou, P., Petrou, A., Glamočlija, J., Ćirić, A.,& Soković, M.. (2020). Substituted 6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-1,1-dioxidederivatives with antimicrobial activity and docking assisted prediction of the mechanism of their antibacterial and antifungal properties. in Current Topics in Medicinal Chemistry
Bentham Science Publishers Ltd.., 20(29), 2681-2691.
https://doi.org/10.2174/1568026620666200922114735

Geronikaki A, Kartsev V, Eleftheriou P, Petrou A, Glamočlija J, Ćirić A, Soković M. Substituted 6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-1,1-dioxidederivatives with antimicrobial activity and docking assisted prediction of the mechanism of their antibacterial and antifungal properties. in Current Topics in Medicinal Chemistry. 2020;20(29):2681-2691.
doi:10.2174/1568026620666200922114735 .

Geronikaki, Athina, Kartsev, Victor, Eleftheriou, Phaedra, Petrou, Anthi, Glamočlija, Jasmina, Ćirić, Ana, Soković, Marina, "Substituted 6,7-dimethoxy-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-1,1-dioxidederivatives with antimicrobial activity and docking assisted prediction of the mechanism of their antibacterial and antifungal properties" in Current Topics in Medicinal Chemistry, 20, no. 29 (2020):2681-2691,
https://doi.org/10.2174/1568026620666200922114735 . .

TY  - JOUR
AU  - Sirakanyan, Samvel N
AU  - Kartsev, Victor G.
AU  - Geronikaki, Athina
AU  - Spinelli, D.
AU  - Petrou, Anthi
AU  - Hakobyan, Elmira K.
AU  - Glamočlija, Jasmina
AU  - Ivanov, Marija
AU  - Soković, Marina
AU  - Hovakimyan, Anush A.
PY  - 2020
UR  - http://www.eurekaselect.com/183263/article
UR  - http://www.ncbi.nlm.nih.gov/pubmed/32598259
UR  - https://radar.ibiss.bg.ac.rs/123456789/3915
AB  - BACKGROUND From the literature it is known that many derivatives of fused thienopyrimidines and furopyrimidines possess broad spectrum of biological activity. OBJECTIVES The current studies describe the synthesis and evaluation of antimicrobial activity of some new N-1,3-thiazol-2- ylacetamides of pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines. METHOD By cyclocondensation of ethyl 1-aminofuro(thieno)[2,3-b]pyridine-2-carboxylates 1with Formamide were converted to the pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidin-7(8)-ones 2.Alkylation of compound 2 with 2-chloro-N-1,3-thiazol-2- ylacetamide led to the aimed N-1,3-thiazol-2-ylaceta-mides of pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines 3. Starting from compound 2 the relevant S-alkylated derivatives of pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines 6 were also synthesized. RESULTS All compounds showed antibacterial activity to non-resistant strains. Compounds 3a-3m showed antibacterial activity with MIC/MBC at 0.08-2.31 mg/mL/0.11-3.75 mg/mL .Two the most active compounds 3j and 6b appeared to be more active than MRSA than reference drugs. These compounds exhibitedalso better effect to biofilm formation than reference drugs. Half of the tested compounds appeared to be equipotent/more potent than ketoconazole and more potent than bifonazole. A docking analysis has furnished useful information about the interactions occurring between the tested compounds and the different enzymes. CONCLUSION Gram-negative and Gram-positive bacteria and fungi showed different response towards tested compounds, indicating that different substituents may lead to different modes of action or that the metabolism of some bacteria/fungi was better able to overcome the effect of the compounds or adapt to it.
T2  - Current Topics in Medicinal Chemistry
T1  - Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines.
IS  - 24
VL  - 20
DO  - 10.2174/1568026620666200628145308
SP  - 2192
EP  - 2209
ER  - 

@article{
author = "Sirakanyan, Samvel N and Kartsev, Victor G. and Geronikaki, Athina and Spinelli, D. and Petrou, Anthi and Hakobyan, Elmira K. and Glamočlija, Jasmina and Ivanov, Marija and Soković, Marina and Hovakimyan, Anush A.",
year = "2020",
abstract = "BACKGROUND From the literature it is known that many derivatives of fused thienopyrimidines and furopyrimidines possess broad spectrum of biological activity. OBJECTIVES The current studies describe the synthesis and evaluation of antimicrobial activity of some new N-1,3-thiazol-2- ylacetamides of pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines. METHOD By cyclocondensation of ethyl 1-aminofuro(thieno)[2,3-b]pyridine-2-carboxylates 1with Formamide were converted to the pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidin-7(8)-ones 2.Alkylation of compound 2 with 2-chloro-N-1,3-thiazol-2- ylacetamide led to the aimed N-1,3-thiazol-2-ylaceta-mides of pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines 3. Starting from compound 2 the relevant S-alkylated derivatives of pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines 6 were also synthesized. RESULTS All compounds showed antibacterial activity to non-resistant strains. Compounds 3a-3m showed antibacterial activity with MIC/MBC at 0.08-2.31 mg/mL/0.11-3.75 mg/mL .Two the most active compounds 3j and 6b appeared to be more active than MRSA than reference drugs. These compounds exhibitedalso better effect to biofilm formation than reference drugs. Half of the tested compounds appeared to be equipotent/more potent than ketoconazole and more potent than bifonazole. A docking analysis has furnished useful information about the interactions occurring between the tested compounds and the different enzymes. CONCLUSION Gram-negative and Gram-positive bacteria and fungi showed different response towards tested compounds, indicating that different substituents may lead to different modes of action or that the metabolism of some bacteria/fungi was better able to overcome the effect of the compounds or adapt to it.",
journal = "Current Topics in Medicinal Chemistry",
title = "Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines.",
number = "24",
volume = "20",
doi = "10.2174/1568026620666200628145308",
pages = "2192-2209"
}

Sirakanyan, S. N., Kartsev, V. G., Geronikaki, A., Spinelli, D., Petrou, A., Hakobyan, E. K., Glamočlija, J., Ivanov, M., Soković, M.,& Hovakimyan, A. A.. (2020). Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines.. in Current Topics in Medicinal Chemistry, 20(24), 2192-2209.
https://doi.org/10.2174/1568026620666200628145308

Sirakanyan SN, Kartsev VG, Geronikaki A, Spinelli D, Petrou A, Hakobyan EK, Glamočlija J, Ivanov M, Soković M, Hovakimyan AA. Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines.. in Current Topics in Medicinal Chemistry. 2020;20(24):2192-2209.
doi:10.2174/1568026620666200628145308 .

Sirakanyan, Samvel N, Kartsev, Victor G., Geronikaki, Athina, Spinelli, D., Petrou, Anthi, Hakobyan, Elmira K., Glamočlija, Jasmina, Ivanov, Marija, Soković, Marina, Hovakimyan, Anush A., "Synthesis, evaluation of antimicrobial activity and molecular docking of new N-1,3-thiazol-2-ylacetamides of condensed pyrido[3',2':4,5]furo(thieno)[3,2-d]pyrimidines." in Current Topics in Medicinal Chemistry, 20, no. 24 (2020):2192-2209,
https://doi.org/10.2174/1568026620666200628145308 . .

TY  - JOUR
AU  - Stingaci, Eugenia
AU  - Zveaghinteva, Marina
AU  - Pogrebnoi, Serghei
AU  - Lupascu, Lucian
AU  - Valica, Vladimir
AU  - Uncu, Livia
AU  - Smetanscaia, Anastasia
AU  - Drumea, Maricica
AU  - Petrou, Anthi
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
AU  - Kravtsov, Victor
AU  - Geronikaki, Athina
AU  - Macaev, Fliur
PY  - 2020
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0960894X20304790
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3761
AB  - 1,2,4-Triazole is a very important scaffold in medicinal chemistry due to the wide spectrum of biological activities and mainly antifungal activity of 1,2,4-triazole derivatives. The main mechanism of antifungal action of the latter is inhibition of 14-alpha-demethylase enzyme (CYP51). The current study presents synthesis and evaluation of eight triazole derivatives for their antimicrobial activity. Docking studies to elucidate the mechanism of action were also performed. The designed compounds were synthesized using classical methods of organic synthesis. The in vivo evaluation of antimicrobial activity was performed by microdilution method. All tested compounds showed good antibacterial activity with MIC and MBC values ranging from 0.0002 to 0.0069 mM. Compound 2 h appeared to be the most active among all tested with MIC at 0.0002–0.0033 mM and MBC at 0.0004–0.0033 mM followed by compounds 2f and 2g. The most sensitive bacterium appeared to be Xanthomonas campestris while Erwinia amylovora was the most resistant. The evaluation of antifungal activity revealed that all compounds showed good antifungal activity with MIC values ranging from 0.02 mM to 0.52 mM and MFC from 0.03 mM to 0.52 mM better than reference drugs ketoconazole (MIC and MFC values at 0.28–1.88 mM and 0.38 mM to 2.82 mM respectively) and bifonazole (MIC and MFC values at 0.32–0.64 mM and 0.64–0.81 mM). The best antifungal activity is displayed by compound 2 h with MIC at 0.02–0.04 mM and MFC at 0.03–0.06 mM while compound 2a showed the lowest activity. The results showed that these compounds could be lead compounds in search for new potent antimicrobial agents. Docking studies confirmed experimental results.
PB  - Elsevier BV
T2  - Bioorganic & Medicinal Chemistry Letters
T1  - New vinyl-1,2,4-triazole derivatives as antimicrobial agents: Synthesis, biological evaluation and molecular docking studies
IS  - 17
VL  - 30
DO  - 10.1016/j.bmcl.2020.127368
SP  - 127368
ER  - 

@article{
author = "Stingaci, Eugenia and Zveaghinteva, Marina and Pogrebnoi, Serghei and Lupascu, Lucian and Valica, Vladimir and Uncu, Livia and Smetanscaia, Anastasia and Drumea, Maricica and Petrou, Anthi and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina and Kravtsov, Victor and Geronikaki, Athina and Macaev, Fliur",
year = "2020",
abstract = "1,2,4-Triazole is a very important scaffold in medicinal chemistry due to the wide spectrum of biological activities and mainly antifungal activity of 1,2,4-triazole derivatives. The main mechanism of antifungal action of the latter is inhibition of 14-alpha-demethylase enzyme (CYP51). The current study presents synthesis and evaluation of eight triazole derivatives for their antimicrobial activity. Docking studies to elucidate the mechanism of action were also performed. The designed compounds were synthesized using classical methods of organic synthesis. The in vivo evaluation of antimicrobial activity was performed by microdilution method. All tested compounds showed good antibacterial activity with MIC and MBC values ranging from 0.0002 to 0.0069 mM. Compound 2 h appeared to be the most active among all tested with MIC at 0.0002–0.0033 mM and MBC at 0.0004–0.0033 mM followed by compounds 2f and 2g. The most sensitive bacterium appeared to be Xanthomonas campestris while Erwinia amylovora was the most resistant. The evaluation of antifungal activity revealed that all compounds showed good antifungal activity with MIC values ranging from 0.02 mM to 0.52 mM and MFC from 0.03 mM to 0.52 mM better than reference drugs ketoconazole (MIC and MFC values at 0.28–1.88 mM and 0.38 mM to 2.82 mM respectively) and bifonazole (MIC and MFC values at 0.32–0.64 mM and 0.64–0.81 mM). The best antifungal activity is displayed by compound 2 h with MIC at 0.02–0.04 mM and MFC at 0.03–0.06 mM while compound 2a showed the lowest activity. The results showed that these compounds could be lead compounds in search for new potent antimicrobial agents. Docking studies confirmed experimental results.",
publisher = "Elsevier BV",
journal = "Bioorganic & Medicinal Chemistry Letters",
title = "New vinyl-1,2,4-triazole derivatives as antimicrobial agents: Synthesis, biological evaluation and molecular docking studies",
number = "17",
volume = "30",
doi = "10.1016/j.bmcl.2020.127368",
pages = "127368"
}

Stingaci, E., Zveaghinteva, M., Pogrebnoi, S., Lupascu, L., Valica, V., Uncu, L., Smetanscaia, A., Drumea, M., Petrou, A., Ćirić, A., Glamočlija, J., Soković, M., Kravtsov, V., Geronikaki, A.,& Macaev, F.. (2020). New vinyl-1,2,4-triazole derivatives as antimicrobial agents: Synthesis, biological evaluation and molecular docking studies. in Bioorganic & Medicinal Chemistry Letters
Elsevier BV., 30(17), 127368.
https://doi.org/10.1016/j.bmcl.2020.127368

Stingaci E, Zveaghinteva M, Pogrebnoi S, Lupascu L, Valica V, Uncu L, Smetanscaia A, Drumea M, Petrou A, Ćirić A, Glamočlija J, Soković M, Kravtsov V, Geronikaki A, Macaev F. New vinyl-1,2,4-triazole derivatives as antimicrobial agents: Synthesis, biological evaluation and molecular docking studies. in Bioorganic & Medicinal Chemistry Letters. 2020;30(17):127368.
doi:10.1016/j.bmcl.2020.127368 .

Stingaci, Eugenia, Zveaghinteva, Marina, Pogrebnoi, Serghei, Lupascu, Lucian, Valica, Vladimir, Uncu, Livia, Smetanscaia, Anastasia, Drumea, Maricica, Petrou, Anthi, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, Kravtsov, Victor, Geronikaki, Athina, Macaev, Fliur, "New vinyl-1,2,4-triazole derivatives as antimicrobial agents: Synthesis, biological evaluation and molecular docking studies" in Bioorganic & Medicinal Chemistry Letters, 30, no. 17 (2020):127368,
https://doi.org/10.1016/j.bmcl.2020.127368 . .

TY  - JOUR
AU  - Amiranashvili, Lela
AU  - Nadaraia, Nanuli
AU  - Merlani, Maia
AU  - Kamoutsis, Charalampos
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Pogodin, Pavel
AU  - Druzhilovskiy, Dmitry
AU  - Poroikov, Vladimir
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
PY  - 2020
UR  - https://www.mdpi.com/2079-6382/9/5/224
UR  - http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC7277561
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3691
AB  - We evaluated the antimicrobial activity of thirty-one nitrogen-containing 5-alpha-androstane derivatives in silico using computer program PASS (Prediction of Activity Spectra for Substances) and freely available PASS-based web applications (www.way2drug.com). Antibacterial activity was predicted for 27 out of 31 molecules; antifungal activity was predicted for 25 out of 31 compounds. The results of experiments, which we conducted to study the antimicrobial activity, are in agreement with the predictions. All compounds were found to be active with MIC (Minimum Inhibitory Concentration) and MBC (Minimum Bactericidal Concentration) values in the range of 0.0005-0.6 mg/mL. The activity of all studied 5-alpha-androstane derivatives exceeded or was equal to those of Streptomycin and, except for the 3β-hydroxy-17α-aza-d-homo-5α-androstane-17-one, all molecules were more active than Ampicillin. Activity against the resistant strains of E. coli,P. aeruginosa, and methicillin-resistant Staphylococcus aureus was also shown in experiments. Antifungal activity was determined with MIC and MFC (Minimum Fungicidal Concentration) values varying from 0.007 to 0.6 mg/mL. Most of the compounds were found to be more potent than the reference drugs Bifonazole and Ketoconazole. According to the results of docking studies, the putative targets for antibacterial and antifungal activity are UDP-N-acetylenolpyruvoylglucosamine reductase and 14-alpha demethylase, respectively. In silico assessments of the acute rodent toxicity and cytotoxicity obtained using GUSAR (General Unrestricted Structure-Activity Relationships) and CLC-Pred (Cell Line Cytotoxicity Predictor) web-services were low for the majority of compounds under study, which contributes to the chances for those compounds to advance in the development.
PB  - MDPI AG
T2  - Antibiotics (Basel, Switzerland)
T1  - Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies.
IS  - 5
VL  - 9
DO  - 10.3390/antibiotics9050224
SP  - 224
ER  - 

@article{
author = "Amiranashvili, Lela and Nadaraia, Nanuli and Merlani, Maia and Kamoutsis, Charalampos and Petrou, Anthi and Geronikaki, Athina and Pogodin, Pavel and Druzhilovskiy, Dmitry and Poroikov, Vladimir and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina",
year = "2020",
abstract = "We evaluated the antimicrobial activity of thirty-one nitrogen-containing 5-alpha-androstane derivatives in silico using computer program PASS (Prediction of Activity Spectra for Substances) and freely available PASS-based web applications (www.way2drug.com). Antibacterial activity was predicted for 27 out of 31 molecules; antifungal activity was predicted for 25 out of 31 compounds. The results of experiments, which we conducted to study the antimicrobial activity, are in agreement with the predictions. All compounds were found to be active with MIC (Minimum Inhibitory Concentration) and MBC (Minimum Bactericidal Concentration) values in the range of 0.0005-0.6 mg/mL. The activity of all studied 5-alpha-androstane derivatives exceeded or was equal to those of Streptomycin and, except for the 3β-hydroxy-17α-aza-d-homo-5α-androstane-17-one, all molecules were more active than Ampicillin. Activity against the resistant strains of E. coli,P. aeruginosa, and methicillin-resistant Staphylococcus aureus was also shown in experiments. Antifungal activity was determined with MIC and MFC (Minimum Fungicidal Concentration) values varying from 0.007 to 0.6 mg/mL. Most of the compounds were found to be more potent than the reference drugs Bifonazole and Ketoconazole. According to the results of docking studies, the putative targets for antibacterial and antifungal activity are UDP-N-acetylenolpyruvoylglucosamine reductase and 14-alpha demethylase, respectively. In silico assessments of the acute rodent toxicity and cytotoxicity obtained using GUSAR (General Unrestricted Structure-Activity Relationships) and CLC-Pred (Cell Line Cytotoxicity Predictor) web-services were low for the majority of compounds under study, which contributes to the chances for those compounds to advance in the development.",
publisher = "MDPI AG",
journal = "Antibiotics (Basel, Switzerland)",
title = "Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies.",
number = "5",
volume = "9",
doi = "10.3390/antibiotics9050224",
pages = "224"
}

Amiranashvili, L., Nadaraia, N., Merlani, M., Kamoutsis, C., Petrou, A., Geronikaki, A., Pogodin, P., Druzhilovskiy, D., Poroikov, V., Ćirić, A., Glamočlija, J.,& Soković, M.. (2020). Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies.. in Antibiotics (Basel, Switzerland)
MDPI AG., 9(5), 224.
https://doi.org/10.3390/antibiotics9050224

Amiranashvili L, Nadaraia N, Merlani M, Kamoutsis C, Petrou A, Geronikaki A, Pogodin P, Druzhilovskiy D, Poroikov V, Ćirić A, Glamočlija J, Soković M. Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies.. in Antibiotics (Basel, Switzerland). 2020;9(5):224.
doi:10.3390/antibiotics9050224 .

Amiranashvili, Lela, Nadaraia, Nanuli, Merlani, Maia, Kamoutsis, Charalampos, Petrou, Anthi, Geronikaki, Athina, Pogodin, Pavel, Druzhilovskiy, Dmitry, Poroikov, Vladimir, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, "Antimicrobial Activity of Nitrogen-Containing 5-Alpha-androstane Derivatives: In Silico and Experimental Studies." in Antibiotics (Basel, Switzerland), 9, no. 5 (2020):224,
https://doi.org/10.3390/antibiotics9050224 . .

TY  - JOUR
AU  - Horishny, Volodymyr
AU  - Kartsev, Victor
AU  - Geronikaki, Athina
AU  - Matiychuk, Vasyl
AU  - Petrou, Anthi
AU  - Glamočlija, Jasmina
AU  - Ćirić, Ana
AU  - Soković, Marina
PY  - 2020
UR  - https://www.mdpi.com/1420-3049/25/8/1964
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3661
AB  - Background: Infectious diseases symbolize a global consequential strain on public health security and impact on the socio-economic stability all over the world. The increasing resistance to the current antimicrobial treatment has resulted in crucial need for the discovery and development of novel entity for the infectious treatment with different modes of action that could target both sensitive and resistant strains. Methods: Compounds were synthesized using classical methods of organic synthesis. Results: All 20 synthesized compounds showed antibacterial activity against eight Gram-positive and Gram-negative bacterial species. It should be mentioned that all compounds exhibited better antibacterial potency than ampicillin against all bacteria tested. Furthermore, 18 compounds appeared to be more potent than streptomycin against Staphylococcus aureus, Enterobacter cloacae, Pseudomonas aeruginosa, Listeria monocytogenes, and Escherichia coli. Three the most active compounds 4h, 5b, and 5g appeared to be more potent against MRSA than ampicillin, while streptomycin did not show any bactericidal activity. All three compounds displayed better activity also against resistant strains P. aeruginosa and E. coli than ampicillin. Furthermore, all compounds were able to inhibit biofilm formation 2- to 4-times more than both reference drugs. Compounds were evaluated also for their antifungal activity against eight species. The evaluation revealed that all compounds exhibited antifungal activity better than the reference drugs bifonazole and ketoconazole. Molecular docking studies on antibacterial and antifungal targets were performed in order to elucidate the mechanism of antibacterial activity of synthesized compounds. Conclusion: All tested compounds showed good antibacterial and antifungal activity better than that of reference drugs and three the most active compounds could consider as lead compounds for the development of new more potent agents.
PB  - MDPI AG
T2  - Molecules
T1  - 5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)alkancarboxylic Acids as Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies
IS  - 8
VL  - 25
DO  - 10.3390/molecules25081964
SP  - 1964
ER  - 

@article{
author = "Horishny, Volodymyr and Kartsev, Victor and Geronikaki, Athina and Matiychuk, Vasyl and Petrou, Anthi and Glamočlija, Jasmina and Ćirić, Ana and Soković, Marina",
year = "2020",
abstract = "Background: Infectious diseases symbolize a global consequential strain on public health security and impact on the socio-economic stability all over the world. The increasing resistance to the current antimicrobial treatment has resulted in crucial need for the discovery and development of novel entity for the infectious treatment with different modes of action that could target both sensitive and resistant strains. Methods: Compounds were synthesized using classical methods of organic synthesis. Results: All 20 synthesized compounds showed antibacterial activity against eight Gram-positive and Gram-negative bacterial species. It should be mentioned that all compounds exhibited better antibacterial potency than ampicillin against all bacteria tested. Furthermore, 18 compounds appeared to be more potent than streptomycin against Staphylococcus aureus, Enterobacter cloacae, Pseudomonas aeruginosa, Listeria monocytogenes, and Escherichia coli. Three the most active compounds 4h, 5b, and 5g appeared to be more potent against MRSA than ampicillin, while streptomycin did not show any bactericidal activity. All three compounds displayed better activity also against resistant strains P. aeruginosa and E. coli than ampicillin. Furthermore, all compounds were able to inhibit biofilm formation 2- to 4-times more than both reference drugs. Compounds were evaluated also for their antifungal activity against eight species. The evaluation revealed that all compounds exhibited antifungal activity better than the reference drugs bifonazole and ketoconazole. Molecular docking studies on antibacterial and antifungal targets were performed in order to elucidate the mechanism of antibacterial activity of synthesized compounds. Conclusion: All tested compounds showed good antibacterial and antifungal activity better than that of reference drugs and three the most active compounds could consider as lead compounds for the development of new more potent agents.",
publisher = "MDPI AG",
journal = "Molecules",
title = "5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)alkancarboxylic Acids as Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies",
number = "8",
volume = "25",
doi = "10.3390/molecules25081964",
pages = "1964"
}

Horishny, V., Kartsev, V., Geronikaki, A., Matiychuk, V., Petrou, A., Glamočlija, J., Ćirić, A.,& Soković, M.. (2020). 5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)alkancarboxylic Acids as Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies. in Molecules
MDPI AG., 25(8), 1964.
https://doi.org/10.3390/molecules25081964

Horishny V, Kartsev V, Geronikaki A, Matiychuk V, Petrou A, Glamočlija J, Ćirić A, Soković M. 5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)alkancarboxylic Acids as Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies. in Molecules. 2020;25(8):1964.
doi:10.3390/molecules25081964 .

Horishny, Volodymyr, Kartsev, Victor, Geronikaki, Athina, Matiychuk, Vasyl, Petrou, Anthi, Glamočlija, Jasmina, Ćirić, Ana, Soković, Marina, "5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)alkancarboxylic Acids as Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies" in Molecules, 25, no. 8 (2020):1964,
https://doi.org/10.3390/molecules25081964 . .

TY  - JOUR
AU  - Merlani, Maia
AU  - Barbakadze, Vakhtang
AU  - Amiranashvili, Lela
AU  - Gogilashvili, Lali
AU  - Poroikov, Vladimir
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
PY  - 2019
UR  - http://www.eurekaselect.com/169251/article
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3346
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3411
AB  - BACKGROUND Phenolic acids (caffeic-, ferulic and p-coumaric acid) are widely distributed in the plant kingdom and exhibit broad spectrum of biological activities, including antimicrobial activity. OBJECTIVE The goal of this paper is the synthesis of some caffeic acid derivatives selected based on computer-aided predictions and evaluate their in vitro antimicrobial properties against Gram positive and Gram negative bacteria and also a series of fungi. METHODS In silico prediction of biological activity was used to identify the most promising structures for synthesis and biological testing, and the putative mechanisms of their antimicrobial action. The designed compounds were synthesized using classical organic synthesis methods. The antimicrobial activity was studied using microdilution method. RESULTS Twelve tested compounds have shown good antibacterial activity. Five out of twelve tested compounds appeared to be more active than the reference drugs ampicillin and streptomycin. Despite that all compounds exhibited good activity against all bacteria tested, the sensitivity of bacteria towards compounds in general was different. The evaluation of antifungal activity revealed that all compounds were more active than ketoconazole, while seven compounds (2, 3, 4, 5, 7, 8 and 12) appeared to be more active than bifonazole. Docking results indicate that gyrase inhibition is the putative mechanism of antibacterial action while the inhibition of 14α-demethylase may be responsible for antifungal action. Prediction of cytotoxicity by PROTOX showed that compounds are not toxic (LD50 1000-2000 mg/kg). CONCLUSION Thirteen compounds, from which six are new ones, were synthesized, and twelve compounds were tested for antimicrobial activity. The studied compounds appeared to be promising potent and non-toxic antimicrobials, which could be considered as leads for new pharmaceutical agents.
T2  - Current Topics in Medicinal Chemistry
T1  - New Caffeic Acid Derivatives as Antimicrobial Agents: Design, Synthesis, Evaluation and Docking.
IS  - 4
VL  - 19
DO  - 10.2174/1568026619666190122152957
SP  - 292
EP  - 304
ER  - 

@article{
author = "Merlani, Maia and Barbakadze, Vakhtang and Amiranashvili, Lela and Gogilashvili, Lali and Poroikov, Vladimir and Petrou, Anthi and Geronikaki, Athina and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina",
year = "2019",
abstract = "BACKGROUND Phenolic acids (caffeic-, ferulic and p-coumaric acid) are widely distributed in the plant kingdom and exhibit broad spectrum of biological activities, including antimicrobial activity. OBJECTIVE The goal of this paper is the synthesis of some caffeic acid derivatives selected based on computer-aided predictions and evaluate their in vitro antimicrobial properties against Gram positive and Gram negative bacteria and also a series of fungi. METHODS In silico prediction of biological activity was used to identify the most promising structures for synthesis and biological testing, and the putative mechanisms of their antimicrobial action. The designed compounds were synthesized using classical organic synthesis methods. The antimicrobial activity was studied using microdilution method. RESULTS Twelve tested compounds have shown good antibacterial activity. Five out of twelve tested compounds appeared to be more active than the reference drugs ampicillin and streptomycin. Despite that all compounds exhibited good activity against all bacteria tested, the sensitivity of bacteria towards compounds in general was different. The evaluation of antifungal activity revealed that all compounds were more active than ketoconazole, while seven compounds (2, 3, 4, 5, 7, 8 and 12) appeared to be more active than bifonazole. Docking results indicate that gyrase inhibition is the putative mechanism of antibacterial action while the inhibition of 14α-demethylase may be responsible for antifungal action. Prediction of cytotoxicity by PROTOX showed that compounds are not toxic (LD50 1000-2000 mg/kg). CONCLUSION Thirteen compounds, from which six are new ones, were synthesized, and twelve compounds were tested for antimicrobial activity. The studied compounds appeared to be promising potent and non-toxic antimicrobials, which could be considered as leads for new pharmaceutical agents.",
journal = "Current Topics in Medicinal Chemistry",
title = "New Caffeic Acid Derivatives as Antimicrobial Agents: Design, Synthesis, Evaluation and Docking.",
number = "4",
volume = "19",
doi = "10.2174/1568026619666190122152957",
pages = "292-304"
}

Merlani, M., Barbakadze, V., Amiranashvili, L., Gogilashvili, L., Poroikov, V., Petrou, A., Geronikaki, A., Ćirić, A., Glamočlija, J.,& Soković, M.. (2019). New Caffeic Acid Derivatives as Antimicrobial Agents: Design, Synthesis, Evaluation and Docking.. in Current Topics in Medicinal Chemistry, 19(4), 292-304.
https://doi.org/10.2174/1568026619666190122152957

Merlani M, Barbakadze V, Amiranashvili L, Gogilashvili L, Poroikov V, Petrou A, Geronikaki A, Ćirić A, Glamočlija J, Soković M. New Caffeic Acid Derivatives as Antimicrobial Agents: Design, Synthesis, Evaluation and Docking.. in Current Topics in Medicinal Chemistry. 2019;19(4):292-304.
doi:10.2174/1568026619666190122152957 .

Merlani, Maia, Barbakadze, Vakhtang, Amiranashvili, Lela, Gogilashvili, Lali, Poroikov, Vladimir, Petrou, Anthi, Geronikaki, Athina, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, "New Caffeic Acid Derivatives as Antimicrobial Agents: Design, Synthesis, Evaluation and Docking." in Current Topics in Medicinal Chemistry, 19, no. 4 (2019):292-304,
https://doi.org/10.2174/1568026619666190122152957 . .

TY  - JOUR
AU  - Kartsev, Victor
AU  - Geronikaki, Athina
AU  - Petrou, Anthi
AU  - Lichitsky, Boris
AU  - Kostić, Marina
AU  - Ivanov, Marija
AU  - Soković, Marina
AU  - Sirakanyan, Samvel
PY  - 2019
UR  - http://www.eurekaselect.com/172243/article
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3469
AB  - BACKGROUND Griseofulvin - a mold metabolite produced by Penisilium griseofulvum is known as an antifungal drug. OBJECTIVE Thus, the goal of this paper is the design and synthesis of new griseofulvin derivatives and evaluation of their antifungal activity. METHODS Forty-two new compounds were synthesized using classical methods of organic synthesis and evaluated for their antimicrobial activity by microdilution method. RESULTS All forty-two new compounds exhibited very good activity against eight tested micromycetes with MIC ranging from 0.0075-0.055 mg/ml and MFC from 0.02-024 mg/ml. All compounds exhibited better activity than reference drugs ketoconazole (7-42 times) and bifonazole (3-16 fold). The most promising was compound 15. The most sensitive fungal was found to be T. viride, while the most resistant, as was expected, was A. fumigatus. It should be mentioned that most of compounds exhibited better activity than griseofulvin. The molecular docking studies revealed that the most active compound have the same hydrophobic and H-bonding interactions with Thr276 residue observed for griseofulvin forming 3 hydrogen bonds while griseofulvin only one. In general, the molecular docking results coincide with experimental. CONCLUSION Forty-two giseofulvin derivatives were designed, synthesized and evaluated for antimicrobial activity. These derivatives revealed good antifungal activity, better than reference drugs ketoconazole, bifonazole, and griseofulvin as well.
T2  - Current Topics in Medicinal Chemistry
T1  - Griseofulvin Derivatives: Synthesis, Molecular Docking and Biological Evaluation.
IS  - 13
VL  - 19
DO  - 10.2174/1568026619666190523080136
SP  - 1145
EP  - 1161
ER  - 

@article{
author = "Kartsev, Victor and Geronikaki, Athina and Petrou, Anthi and Lichitsky, Boris and Kostić, Marina and Ivanov, Marija and Soković, Marina and Sirakanyan, Samvel",
year = "2019",
abstract = "BACKGROUND Griseofulvin - a mold metabolite produced by Penisilium griseofulvum is known as an antifungal drug. OBJECTIVE Thus, the goal of this paper is the design and synthesis of new griseofulvin derivatives and evaluation of their antifungal activity. METHODS Forty-two new compounds were synthesized using classical methods of organic synthesis and evaluated for their antimicrobial activity by microdilution method. RESULTS All forty-two new compounds exhibited very good activity against eight tested micromycetes with MIC ranging from 0.0075-0.055 mg/ml and MFC from 0.02-024 mg/ml. All compounds exhibited better activity than reference drugs ketoconazole (7-42 times) and bifonazole (3-16 fold). The most promising was compound 15. The most sensitive fungal was found to be T. viride, while the most resistant, as was expected, was A. fumigatus. It should be mentioned that most of compounds exhibited better activity than griseofulvin. The molecular docking studies revealed that the most active compound have the same hydrophobic and H-bonding interactions with Thr276 residue observed for griseofulvin forming 3 hydrogen bonds while griseofulvin only one. In general, the molecular docking results coincide with experimental. CONCLUSION Forty-two giseofulvin derivatives were designed, synthesized and evaluated for antimicrobial activity. These derivatives revealed good antifungal activity, better than reference drugs ketoconazole, bifonazole, and griseofulvin as well.",
journal = "Current Topics in Medicinal Chemistry",
title = "Griseofulvin Derivatives: Synthesis, Molecular Docking and Biological Evaluation.",
number = "13",
volume = "19",
doi = "10.2174/1568026619666190523080136",
pages = "1145-1161"
}

Kartsev, V., Geronikaki, A., Petrou, A., Lichitsky, B., Kostić, M., Ivanov, M., Soković, M.,& Sirakanyan, S.. (2019). Griseofulvin Derivatives: Synthesis, Molecular Docking and Biological Evaluation.. in Current Topics in Medicinal Chemistry, 19(13), 1145-1161.
https://doi.org/10.2174/1568026619666190523080136

Kartsev V, Geronikaki A, Petrou A, Lichitsky B, Kostić M, Ivanov M, Soković M, Sirakanyan S. Griseofulvin Derivatives: Synthesis, Molecular Docking and Biological Evaluation.. in Current Topics in Medicinal Chemistry. 2019;19(13):1145-1161.
doi:10.2174/1568026619666190523080136 .

Kartsev, Victor, Geronikaki, Athina, Petrou, Anthi, Lichitsky, Boris, Kostić, Marina, Ivanov, Marija, Soković, Marina, Sirakanyan, Samvel, "Griseofulvin Derivatives: Synthesis, Molecular Docking and Biological Evaluation." in Current Topics in Medicinal Chemistry, 19, no. 13 (2019):1145-1161,
https://doi.org/10.2174/1568026619666190523080136 . .

TY  - JOUR
AU  - Kartsev, Vicor
AU  - Shikhaliev, Khidmet S.
AU  - Geronikaki, Athina
AU  - Medvedeva, Svetlana M.
AU  - Ledenyova, Irina V.
AU  - Krysin, Mikhail Yu
AU  - Petrou, Anthi
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
PY  - 2019
UR  - https://www.sciencedirect.com/science/article/pii/S0223523419303642?via%3Dihub
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3356
AB  - Herein we report the design, synthesis, molecular docking study and evaluation of antimicrobial activity of ten new dithioloquinolinethiones. The structures of compounds were confirmed by 1H NMR, 13C NMR and HPLC-HRMS. Before evaluation of their possible antimicrobial activity prediction of toxicity was performed. All compounds showed antibacterial activity against eight Gram positive and Gram negative bacterial species. All compounds appeared to be more active than ampicillin and almost all than streptomycin. The best antibacterial activity was observed for compound 8c 4,4,8-trimethyl-5-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio]acetyl}-4,5-dihydro-1H-[1,2]dithiolo[3,4c]quino lone-1-thione). The most sensitive bacterium En.cloacae followed by S. aureus, while L.monocytogenes was the most resistant. All compounds were tested for antifungal activity also against eight fungal species. The best activity was expressed by compound 8d (5-[(4,5-Dihydro-1,3-thiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione). The most sensitive fungal was T. viride, while P. verrucosum var. cyclopium was the most resistant one. All compounds were more potent as antifungal agent than reference compound bifonazole and ketoconazole. The docking studies indicated a probable involvement of E. coli DNA GyrB inhibition in the anti-bacterial mechanism, while CYP51ca inhibition is probably responsible for antifungal activity of tested compounds. It is interesting to mention that docking results coincides with experimental.
T2  - European Journal of Medicinal Chemistry
T1  - Appendix A. dithioloquinolinethiones as new potential multitargeted antibacterial and antifungal agents: Synthesis, biological evaluation and molecular docking studies
VL  - 175
DO  - 10.1016/J.EJMECH.2019.04.046
SP  - 201
EP  - 214
ER  - 

@article{
author = "Kartsev, Vicor and Shikhaliev, Khidmet S. and Geronikaki, Athina and Medvedeva, Svetlana M. and Ledenyova, Irina V. and Krysin, Mikhail Yu and Petrou, Anthi and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina",
year = "2019",
abstract = "Herein we report the design, synthesis, molecular docking study and evaluation of antimicrobial activity of ten new dithioloquinolinethiones. The structures of compounds were confirmed by 1H NMR, 13C NMR and HPLC-HRMS. Before evaluation of their possible antimicrobial activity prediction of toxicity was performed. All compounds showed antibacterial activity against eight Gram positive and Gram negative bacterial species. All compounds appeared to be more active than ampicillin and almost all than streptomycin. The best antibacterial activity was observed for compound 8c 4,4,8-trimethyl-5-{[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio]acetyl}-4,5-dihydro-1H-[1,2]dithiolo[3,4c]quino lone-1-thione). The most sensitive bacterium En.cloacae followed by S. aureus, while L.monocytogenes was the most resistant. All compounds were tested for antifungal activity also against eight fungal species. The best activity was expressed by compound 8d (5-[(4,5-Dihydro-1,3-thiazol-2-ylthio)acetyl]-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione). The most sensitive fungal was T. viride, while P. verrucosum var. cyclopium was the most resistant one. All compounds were more potent as antifungal agent than reference compound bifonazole and ketoconazole. The docking studies indicated a probable involvement of E. coli DNA GyrB inhibition in the anti-bacterial mechanism, while CYP51ca inhibition is probably responsible for antifungal activity of tested compounds. It is interesting to mention that docking results coincides with experimental.",
journal = "European Journal of Medicinal Chemistry",
title = "Appendix A. dithioloquinolinethiones as new potential multitargeted antibacterial and antifungal agents: Synthesis, biological evaluation and molecular docking studies",
volume = "175",
doi = "10.1016/J.EJMECH.2019.04.046",
pages = "201-214"
}

Kartsev, V., Shikhaliev, K. S., Geronikaki, A., Medvedeva, S. M., Ledenyova, I. V., Krysin, M. Y., Petrou, A., Ćirić, A., Glamočlija, J.,& Soković, M.. (2019). Appendix A. dithioloquinolinethiones as new potential multitargeted antibacterial and antifungal agents: Synthesis, biological evaluation and molecular docking studies. in European Journal of Medicinal Chemistry, 175, 201-214.
https://doi.org/10.1016/J.EJMECH.2019.04.046

Kartsev V, Shikhaliev KS, Geronikaki A, Medvedeva SM, Ledenyova IV, Krysin MY, Petrou A, Ćirić A, Glamočlija J, Soković M. Appendix A. dithioloquinolinethiones as new potential multitargeted antibacterial and antifungal agents: Synthesis, biological evaluation and molecular docking studies. in European Journal of Medicinal Chemistry. 2019;175:201-214.
doi:10.1016/J.EJMECH.2019.04.046 .

Kartsev, Vicor, Shikhaliev, Khidmet S., Geronikaki, Athina, Medvedeva, Svetlana M., Ledenyova, Irina V., Krysin, Mikhail Yu, Petrou, Anthi, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, "Appendix A. dithioloquinolinethiones as new potential multitargeted antibacterial and antifungal agents: Synthesis, biological evaluation and molecular docking studies" in European Journal of Medicinal Chemistry, 175 (2019):201-214,
https://doi.org/10.1016/J.EJMECH.2019.04.046 . .