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  - Barbakadze, Vakhtang
AU  - Merlani, Maia
AU  - Gogilashvili, Lali
AU  - Amiranashvili, Lela
AU  - Petrou, Anthi
AU  - Geronikaki, Athina
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
PY  - 2023
UR  - https://www.mdpi.com/2079-6382/12/2/285
UR  - http://www.ncbi.nlm.nih.gov/pubmed/36830198
UR  - http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC9952037
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5491
AB  - This study reports the antimicrobial activities of the biopolymers poly[3-(3,4-dihydoxyphenyl)glyceric acid] (PDHPGA) and poly[2-methoxycarbonyl-3-(3,4-dihydroxyphenyl)oxirane] (PMDHPO), extracted from the six plants of Boraginaceae family: Symphytum asperum (SA), S. caucasicum (SC), S. gr and iflorum (SG), Anchusa italica (AI), Cynoglosum officinale (CO), and Borago officinalis (BO) collected in various parts of Georgia. The study revealed that the antibacterial activities were moderate, and biopolymers from only three plants showed activities against all tested bacteria. Biopolymers from CO stems as well as SC and AI did not show any activity except low activity against a resistant P. aeruginosa strain, which was the most resistant among all three resistant strains. On the other hand, the antifungal activity was better compared to the antibacterial activity. Biopolymers from BO stems exhibited the best activities with MIC/MFC at 0.37-1.00 mg/mL and 0.75-1.5 mg/L, respectively, followed by those from SG stems. Biopolymers from SC and AI roots showed antifungal activities against all six fungi, in contrast to the antibacterial activity, while biopolymers from CO stems and SA roots had activities against four fungi and one fungus, respectively. The sugar-based catechol-containing biopolymers from BO stems demonstrated the best activities among all tested biopolymers against T. viride, P. funiculosum, P. cyclpoium var verucosum, and C. albicans (MIC 0.37 mg/mL). In addition, biopolymers from SG stems were half as active against A. fumigatus and T. viride as ketoconazole. Biopolymers from all plant materials except for CO stems showed higher potency than ketoconazole against T. viride. For the first time, it was shown that all plant materials exhibited better activity against C. albicans, one of the most dreadful fungal species.
PB  - Basel: MDPI
T2  - Antibiotics (Basel, Switzerland)
T1  - Antimicrobial Activity of Catechol-Containing Biopolymer Poly[3-(3,4-dihydroxyphenyl)glyceric Acid] from Different Medicinal Plants of Boraginaceae Family
IS  - 2
VL  - 12
DO  - 10.3390/antibiotics12020285
SP  - 285
ER  - 

@article{
author = "Barbakadze, Vakhtang and Merlani, Maia and Gogilashvili, Lali and Amiranashvili, Lela and Petrou, Anthi and Geronikaki, Athina and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina",
year = "2023",
abstract = "This study reports the antimicrobial activities of the biopolymers poly[3-(3,4-dihydoxyphenyl)glyceric acid] (PDHPGA) and poly[2-methoxycarbonyl-3-(3,4-dihydroxyphenyl)oxirane] (PMDHPO), extracted from the six plants of Boraginaceae family: Symphytum asperum (SA), S. caucasicum (SC), S. gr and iflorum (SG), Anchusa italica (AI), Cynoglosum officinale (CO), and Borago officinalis (BO) collected in various parts of Georgia. The study revealed that the antibacterial activities were moderate, and biopolymers from only three plants showed activities against all tested bacteria. Biopolymers from CO stems as well as SC and AI did not show any activity except low activity against a resistant P. aeruginosa strain, which was the most resistant among all three resistant strains. On the other hand, the antifungal activity was better compared to the antibacterial activity. Biopolymers from BO stems exhibited the best activities with MIC/MFC at 0.37-1.00 mg/mL and 0.75-1.5 mg/L, respectively, followed by those from SG stems. Biopolymers from SC and AI roots showed antifungal activities against all six fungi, in contrast to the antibacterial activity, while biopolymers from CO stems and SA roots had activities against four fungi and one fungus, respectively. The sugar-based catechol-containing biopolymers from BO stems demonstrated the best activities among all tested biopolymers against T. viride, P. funiculosum, P. cyclpoium var verucosum, and C. albicans (MIC 0.37 mg/mL). In addition, biopolymers from SG stems were half as active against A. fumigatus and T. viride as ketoconazole. Biopolymers from all plant materials except for CO stems showed higher potency than ketoconazole against T. viride. For the first time, it was shown that all plant materials exhibited better activity against C. albicans, one of the most dreadful fungal species.",
publisher = "Basel: MDPI",
journal = "Antibiotics (Basel, Switzerland)",
title = "Antimicrobial Activity of Catechol-Containing Biopolymer Poly[3-(3,4-dihydroxyphenyl)glyceric Acid] from Different Medicinal Plants of Boraginaceae Family",
number = "2",
volume = "12",
doi = "10.3390/antibiotics12020285",
pages = "285"
}

Barbakadze, V., Merlani, M., Gogilashvili, L., Amiranashvili, L., Petrou, A., Geronikaki, A., Ćirić, A., Glamočlija, J.,& Soković, M.. (2023). Antimicrobial Activity of Catechol-Containing Biopolymer Poly[3-(3,4-dihydroxyphenyl)glyceric Acid] from Different Medicinal Plants of Boraginaceae Family. in Antibiotics (Basel, Switzerland)
Basel: MDPI., 12(2), 285.
https://doi.org/10.3390/antibiotics12020285

Barbakadze V, Merlani M, Gogilashvili L, Amiranashvili L, Petrou A, Geronikaki A, Ćirić A, Glamočlija J, Soković M. Antimicrobial Activity of Catechol-Containing Biopolymer Poly[3-(3,4-dihydroxyphenyl)glyceric Acid] from Different Medicinal Plants of Boraginaceae Family. in Antibiotics (Basel, Switzerland). 2023;12(2):285.
doi:10.3390/antibiotics12020285 .

Barbakadze, Vakhtang, Merlani, Maia, Gogilashvili, Lali, Amiranashvili, Lela, Petrou, Anthi, Geronikaki, Athina, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, "Antimicrobial Activity of Catechol-Containing Biopolymer Poly[3-(3,4-dihydroxyphenyl)glyceric Acid] from Different Medicinal Plants of Boraginaceae Family" in Antibiotics (Basel, Switzerland), 12, no. 2 (2023):285,
https://doi.org/10.3390/antibiotics12020285 . .

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  - 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  - 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
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  - Nadaraia, Nanuli Sh.
AU  - Amiranashvili, Lela Sh.
AU  - Merlani, Maia
AU  - Kakhabrishvili, Meri L.
AU  - Barbakadze, Nana N.
AU  - Geronikaki, Athina
AU  - Petrou, Anthi
AU  - Poroikov, Vladimir
AU  - Ćirić, Ana
AU  - Glamočlija, Jasmina
AU  - Soković, Marina
PY  - 2019
UR  - https://www.sciencedirect.com/science/article/pii/S0039128X19300376?via%3Dihub
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3274
AB  - Fourteen steroid compounds were in silico evaluated using computer program PASS as antimicrobial agents. The experimental studies evaluation revealed that all compounds have good antibacterial activity with MIC at range of 0.003-0.96 mg/mL and MBC 0.06-1.92 mg/mL. Almost all compounds except of compound 4 (3β-acetoxy-1/-p-chlorophenyl-3/-methyl-5α-androstano[17,16-d]pyrazoline) were more potent than Ampicillin, and they were equipotent or more potent than Streptomycine. All compounds exhibited good antifungal activity with MIC at 0.003-0.96 mg/mL and MFC at 0.006-1.92 mg/mL but with different sensitivity against fungi tested. According to docking studies 14-alpha demethylase inhibition may be responsible for antifungal activity. Prediction of toxicity by PROTOX and GUSAR revealed that compounds have low toxicity and can be considered as potential lead compounds for the further studies.
T2  - Steroids
T1  - Novel antimicrobial agents' discovery among the steroid derivatives.
VL  - 144
DO  - 10.1016/j.steroids.2019.02.012
SP  - 52
EP  - 65
ER  - 

@article{
author = "Nadaraia, Nanuli Sh. and Amiranashvili, Lela Sh. and Merlani, Maia and Kakhabrishvili, Meri L. and Barbakadze, Nana N. and Geronikaki, Athina and Petrou, Anthi and Poroikov, Vladimir and Ćirić, Ana and Glamočlija, Jasmina and Soković, Marina",
year = "2019",
abstract = "Fourteen steroid compounds were in silico evaluated using computer program PASS as antimicrobial agents. The experimental studies evaluation revealed that all compounds have good antibacterial activity with MIC at range of 0.003-0.96 mg/mL and MBC 0.06-1.92 mg/mL. Almost all compounds except of compound 4 (3β-acetoxy-1/-p-chlorophenyl-3/-methyl-5α-androstano[17,16-d]pyrazoline) were more potent than Ampicillin, and they were equipotent or more potent than Streptomycine. All compounds exhibited good antifungal activity with MIC at 0.003-0.96 mg/mL and MFC at 0.006-1.92 mg/mL but with different sensitivity against fungi tested. According to docking studies 14-alpha demethylase inhibition may be responsible for antifungal activity. Prediction of toxicity by PROTOX and GUSAR revealed that compounds have low toxicity and can be considered as potential lead compounds for the further studies.",
journal = "Steroids",
title = "Novel antimicrobial agents' discovery among the steroid derivatives.",
volume = "144",
doi = "10.1016/j.steroids.2019.02.012",
pages = "52-65"
}

Nadaraia, N. Sh., Amiranashvili, L. Sh., Merlani, M., Kakhabrishvili, M. L., Barbakadze, N. N., Geronikaki, A., Petrou, A., Poroikov, V., Ćirić, A., Glamočlija, J.,& Soković, M.. (2019). Novel antimicrobial agents' discovery among the steroid derivatives.. in Steroids, 144, 52-65.
https://doi.org/10.1016/j.steroids.2019.02.012

Nadaraia NS, Amiranashvili LS, Merlani M, Kakhabrishvili ML, Barbakadze NN, Geronikaki A, Petrou A, Poroikov V, Ćirić A, Glamočlija J, Soković M. Novel antimicrobial agents' discovery among the steroid derivatives.. in Steroids. 2019;144:52-65.
doi:10.1016/j.steroids.2019.02.012 .

Nadaraia, Nanuli Sh., Amiranashvili, Lela Sh., Merlani, Maia, Kakhabrishvili, Meri L., Barbakadze, Nana N., Geronikaki, Athina, Petrou, Anthi, Poroikov, Vladimir, Ćirić, Ana, Glamočlija, Jasmina, Soković, Marina, "Novel antimicrobial agents' discovery among the steroid derivatives." in Steroids, 144 (2019):52-65,
https://doi.org/10.1016/j.steroids.2019.02.012 . .