Synthesis, antimicrobial activity and modeling studies of thiazoles bearing pyridyl and triazolyl scaffolds
Autor: | Naime Funda Tay, Barkın Berk, Murat Duran, İsmail Kayagil, Leyla Yurttaş, Sevde Nur Biltekin Kaleli, Mustafa Yamaç, Ayşe Betül Karaduman, Şeref Demirayak |
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Rok vydání: | 2022 |
Předmět: |
Staphylococcus aureus
Pyridine Microbial Sensitivity Tests Gram-Positive Bacteria Antimicrobial Activity General Biochemistry Genetics and Molecular Biology Docking Anti-Bacterial Agents Molecular Docking Simulation Structure-Activity Relationship Thiazoles Anti-Infective Agents DNA Gyrase Gram-Negative Bacteria ATPase Triazole Thiazole |
Zdroj: | Zeitschrift fur Naturforschung. C, Journal of biosciencesReferences. 77(9-10) |
ISSN: | 1865-7125 |
Popis: | In this study, novel 4-(5-((2/3/4-substituted benzyl)thio)-4-(4-substituted phenyl)-4H-1,2,4-triazol-3-yl)-2-(pyridin-3/4-yl)thiazoles were synthesized following a multi-step synthetic procedure. All the compounds were screened with a panel of gram positive/negative bacteria, yeasts, and molds for antimicrobial activity using the disc diffusion method. Then, the minimum inhibitor concentration (MIC) and the minimum bactericidal concentration (MBC) values of active compounds were determined against Micrococcus luteus, Bacillus cereus, Listeria monocytogenes, and Staphylococcus aureus using the broth microdilution technique. These compounds were also screened for their inhibitory activities against S. aureus DNA gyrase by supercoiling assay. Furthermore, the crystal structure of S. aureus DNA gyrase B ATPase was subjected to a docking experiment to identify the possible interactions between the most active ligand and the active site. Lastly, the in silico technique was performed to analyze and predict the drug-likeness, molecular and ADME properties of the synthesized molecules. |
Databáze: | OpenAIRE |
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