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  - 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  - 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 . .