In vitro, in silico, and DFT evaluation of antimicrobial imidazole derivatives with insights into mechanism of action.

ABSTRACT: In this study, three imidazole derivatives : 2,4,5-triphenyl-1-(4-(phenyldiazenyl)phenyl)-1 H-imidazole (N1), 2-(4-chlorophenyl)-4,5-diphenyl-1-(4-(phenyldiazenyl)phenyl)-1 H-imidazole (N2), and 2-(2,4-dichlorophenyl)-4,5-diphenyl-1-(4-(phenyldiazenyl)phenyl)phenyl)-1 H-imidazole (N3), which were prepared using N-methyl-2-pyrrolidone hydrogen sulfate ionic liquid as a catalyst, were selected for detailed evaluation. The antimicrobial activities of these compounds were assessed against a panel of pathogenic microorganisms, including Gram-positive bacteria (Staphylococcus aureus, Bacillus anthracoides), Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae), and the fungal strain Candida albicans. The Density Functional Theory (DFT) results showed that the N

SUBMITTER: Orujova NS 

PROVIDER: S-EPMC12569038 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature