1. New 1H-1,2,4-Triazolyl Derivatives as Antimicrobial Agents.
- Author
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Sucman N, Stingaci E, Lupascu L, Smetanscaia A, Valica V, Uncu L, Shova S, Petrou A, Glamočlija J, Soković M, Geronikaki A, and Macaev F
- Subjects
- Structure-Activity Relationship, Fungi drug effects, Bacteria drug effects, Molecular Structure, Dose-Response Relationship, Drug, Escherichia coli drug effects, Anti-Infective Agents pharmacology, Anti-Infective Agents chemistry, Anti-Infective Agents chemical synthesis, Microbial Sensitivity Tests, Molecular Docking Simulation, Triazoles chemistry, Triazoles pharmacology, Triazoles chemical synthesis, Antifungal Agents pharmacology, Antifungal Agents chemistry, Antifungal Agents chemical synthesis, Anti-Bacterial Agents pharmacology, Anti-Bacterial Agents chemistry, Anti-Bacterial Agents chemical synthesis
- Abstract
New 1H-1,2,4-triazolyl derivatives were synthesized, and six of them were selected based on docking prediction for the investigation of their antimicrobial activity against five bacterial and eight fungal strains. All compounds demonstrated antibacterial activity with MIC lower than that of the ampicillin and chloramphenicol. In general, the most sensitive bacteria appeared to be P. fluorescens, while the plant pathogen X. campestris was the most resistant. The antifungal activity of the compounds was much better than the antibacterial activity. All compounds were more potent (6 to 45 times) than reference drugs ketoconazole and bifonazole with the best activity achieved by compound 4 a. A. versicolor, A. ochraceus, A.niger, and T.viride showed the highest sensitivity to compound 4 b, while, T. viride, P. funiculosum, and P.ochrochloron showed good sensitivity to compound 4 a. Molecular docking studies suggest that the probable mechanism of antibacterial activity involves the inhibition of the MurB enzyme of E. coli, while CYP51 of C. albicans appears to be involved in the mechanism of antifungal activity. It is worth mentioning that none of the tested compounds violated Lipinski's rule of five., (© 2024 The Authors. Chemistry & Biodiversity published by Wiley-VHCA AG.)
- Published
- 2024
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