Antibacterial activity of griseofulvin analogues as an example of drug repurposing
Само за регистроване кориснике
2020
Аутори
Geronikaki, AthinaKartsev, Victor
Petrou, Anthi
Akrivou, M.G.
Vizirianakis, I.S.
Chatzopoulou, Fani M.
Lichitsky, Boris
Sirakanyan, Samvel
Kostić, Marina
Smiljkovic, Marija
Soković, Marina
Druzhilovskiy, Dmitry
Poroikov, Vladimir
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Griseofulvin is a well-known antifungal drug that was launched in 1962 by Merck & Co. for the treatment of dermatophyte infections. However, according to predictions using the Way2Drug computational drug repurposing platform, it may also have antibacterial activity. As no confirmation of this prediction was found in the published literature, this study estimated in-silico antibacterial activity for 42 griseofulvin derivatives. Antibacterial activity was predicted for 33 of the 42 compounds, which led to the conclusion that this activity might be considered as typical for this chemical series. Therefore, experimental testing of antibacterial activity was performed on a panel of Gram-positive and Gram-negative micro-organisms. Antibacterial activity was evaluated using the microdilution method detecting the minimal inhibitory concentration (MIC) and the minimal bactericidal concentration (MBC). The tested compounds exhibited potent antibacterial activity against all the studied bacteria,... with MIC and MBC values ranging from 0.0037 to 0.04 mg/mL and from 0.01 to 0.16 mg/mL, respectively. Activity was 2.5–12 times greater than that of ampicillin and 2–8 times greater than that of streptomycin, which were used as the reference drugs. Similarity analysis for all 42 compounds with the (approximately) 470,000 drug-like compounds indexed in the Clarivate Analytics Integrity database confirmed the significant novelty of the antibacterial activity for the compounds from this chemical class. Therefore, this study demonstrated that by using computer-aided prediction of biological activity spectra for a particular chemical series, it is possible to identify typical biological activities which may be used for discovery of new applications (e.g. drug repurposing).
Кључне речи:
Antibacterial / Griseofulvin / MBC / MIC / Microdilution method / Molecular docking / Way2DrugИзвор:
International Journal of Antimicrobial Agents, 2020, 55, 3Издавач:
- Elsevier
DOI: 10.1016/j.ijantimicag.2020.105884
ISSN: 0924-8579
WoS: 000518855500002
Scopus: 2-s2.0-85079833908
Колекције
Институција/група
Fakultet veterinarske medicineTY - JOUR AU - Geronikaki, Athina AU - Kartsev, Victor AU - Petrou, Anthi AU - Akrivou, M.G. AU - Vizirianakis, I.S. AU - Chatzopoulou, Fani M. AU - Lichitsky, Boris AU - Sirakanyan, Samvel AU - Kostić, Marina AU - Smiljkovic, Marija AU - Soković, Marina AU - Druzhilovskiy, Dmitry AU - Poroikov, Vladimir PY - 2020 UR - https://vet-erinar.vet.bg.ac.rs/handle/123456789/1991 AB - Griseofulvin is a well-known antifungal drug that was launched in 1962 by Merck & Co. for the treatment of dermatophyte infections. However, according to predictions using the Way2Drug computational drug repurposing platform, it may also have antibacterial activity. As no confirmation of this prediction was found in the published literature, this study estimated in-silico antibacterial activity for 42 griseofulvin derivatives. Antibacterial activity was predicted for 33 of the 42 compounds, which led to the conclusion that this activity might be considered as typical for this chemical series. Therefore, experimental testing of antibacterial activity was performed on a panel of Gram-positive and Gram-negative micro-organisms. Antibacterial activity was evaluated using the microdilution method detecting the minimal inhibitory concentration (MIC) and the minimal bactericidal concentration (MBC). The tested compounds exhibited potent antibacterial activity against all the studied bacteria, with MIC and MBC values ranging from 0.0037 to 0.04 mg/mL and from 0.01 to 0.16 mg/mL, respectively. Activity was 2.5–12 times greater than that of ampicillin and 2–8 times greater than that of streptomycin, which were used as the reference drugs. Similarity analysis for all 42 compounds with the (approximately) 470,000 drug-like compounds indexed in the Clarivate Analytics Integrity database confirmed the significant novelty of the antibacterial activity for the compounds from this chemical class. Therefore, this study demonstrated that by using computer-aided prediction of biological activity spectra for a particular chemical series, it is possible to identify typical biological activities which may be used for discovery of new applications (e.g. drug repurposing). PB - Elsevier T2 - International Journal of Antimicrobial Agents T1 - Antibacterial activity of griseofulvin analogues as an example of drug repurposing VL - 55 IS - 3 DO - 10.1016/j.ijantimicag.2020.105884 ER -
@article{ author = "Geronikaki, Athina and Kartsev, Victor and Petrou, Anthi and Akrivou, M.G. and Vizirianakis, I.S. and Chatzopoulou, Fani M. and Lichitsky, Boris and Sirakanyan, Samvel and Kostić, Marina and Smiljkovic, Marija and Soković, Marina and Druzhilovskiy, Dmitry and Poroikov, Vladimir", year = "2020", abstract = "Griseofulvin is a well-known antifungal drug that was launched in 1962 by Merck & Co. for the treatment of dermatophyte infections. However, according to predictions using the Way2Drug computational drug repurposing platform, it may also have antibacterial activity. As no confirmation of this prediction was found in the published literature, this study estimated in-silico antibacterial activity for 42 griseofulvin derivatives. Antibacterial activity was predicted for 33 of the 42 compounds, which led to the conclusion that this activity might be considered as typical for this chemical series. Therefore, experimental testing of antibacterial activity was performed on a panel of Gram-positive and Gram-negative micro-organisms. Antibacterial activity was evaluated using the microdilution method detecting the minimal inhibitory concentration (MIC) and the minimal bactericidal concentration (MBC). The tested compounds exhibited potent antibacterial activity against all the studied bacteria, with MIC and MBC values ranging from 0.0037 to 0.04 mg/mL and from 0.01 to 0.16 mg/mL, respectively. Activity was 2.5–12 times greater than that of ampicillin and 2–8 times greater than that of streptomycin, which were used as the reference drugs. Similarity analysis for all 42 compounds with the (approximately) 470,000 drug-like compounds indexed in the Clarivate Analytics Integrity database confirmed the significant novelty of the antibacterial activity for the compounds from this chemical class. Therefore, this study demonstrated that by using computer-aided prediction of biological activity spectra for a particular chemical series, it is possible to identify typical biological activities which may be used for discovery of new applications (e.g. drug repurposing).", publisher = "Elsevier", journal = "International Journal of Antimicrobial Agents", title = "Antibacterial activity of griseofulvin analogues as an example of drug repurposing", volume = "55", number = "3", doi = "10.1016/j.ijantimicag.2020.105884" }
Geronikaki, A., Kartsev, V., Petrou, A., Akrivou, M.G., Vizirianakis, I.S., Chatzopoulou, F. M., Lichitsky, B., Sirakanyan, S., Kostić, M., Smiljkovic, M., Soković, M., Druzhilovskiy, D.,& Poroikov, V.. (2020). Antibacterial activity of griseofulvin analogues as an example of drug repurposing. in International Journal of Antimicrobial Agents Elsevier., 55(3). https://doi.org/10.1016/j.ijantimicag.2020.105884
Geronikaki A, Kartsev V, Petrou A, Akrivou M, Vizirianakis I, Chatzopoulou FM, Lichitsky B, Sirakanyan S, Kostić M, Smiljkovic M, Soković M, Druzhilovskiy D, Poroikov V. Antibacterial activity of griseofulvin analogues as an example of drug repurposing. in International Journal of Antimicrobial Agents. 2020;55(3). doi:10.1016/j.ijantimicag.2020.105884 .
Geronikaki, Athina, Kartsev, Victor, Petrou, Anthi, Akrivou, M.G., Vizirianakis, I.S., Chatzopoulou, Fani M., Lichitsky, Boris, Sirakanyan, Samvel, Kostić, Marina, Smiljkovic, Marija, Soković, Marina, Druzhilovskiy, Dmitry, Poroikov, Vladimir, "Antibacterial activity of griseofulvin analogues as an example of drug repurposing" in International Journal of Antimicrobial Agents, 55, no. 3 (2020), https://doi.org/10.1016/j.ijantimicag.2020.105884 . .