In-silico DESIGN, SYNTHESIS, AND ANTIBACTERIAL EVALUATION OF NOVEL TRIPHENYL-SUBSTITUTED IMIDAZOLES

Abstract

In an effort towards the discovery of new chemical entities to combat antimicrobial resistance, a series of novel 2,4,5- triphenyl imidazole derivatives were designed to target lanosterol 14α demethylase to screen the molecules for their antimicrobial potential. The designed molecules were synthesized and characterized by MS, FTIR, and NMR. The compounds were screened for their antimicrobial properties at a concentration of 100 µg/ml against Escherichia coli, Bacillus subtilis, and Aspergillus Niger. Compounds A9, B9, C9, and D9 were found to be active against Escherichia coli at the tested concentration. Computational studies including XP docking, induced fit docking, and MMGBSA were performed to assess their ability to bind at the active site.