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  - 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 . .