In-silico ADME prediction and molecular docking study of novel benzimidazole-1,3,4-oxadiazole derivatives as CYP51 inhibitors for antimicrobial activity

A class of innovative benzimidazole-1,3,4-Oxadiazole derivatives is a significant heterocyclic molecule for therapeutic development. In chemistry, the novel 1,3,4-Oxadiazole nucleus has wide range uses, including antibacterial, treatment. Molecular docking frequently employed in contemporary drug design to comprehend drug-receptor interaction. Swiss dock, PyRx, and discovery studio visualizer (DSV) tools were used predict in-silico ADME properties. current investigation, substituted taken studies against 6AYB an Naegleria fowleri CYP51-ketoconazole complex. The main objective study perform selected benzimidazole-1,3,4-oxadiazole on protein compare score with standard ketoconazole. molecular was conducted using PyRx program, complex (6AYB) obtained from data bank (PDB) site. It found that all sixteen compounds ranged -8.1 -8.9 Kcal/mol. benzimidazole been possess antibacterial properties, many have reported activity