Molecular docking and antimicrobial analyses of synthesized imidazole derivatives in solvent less condition, adjacent to human pathogenic bacterial strains

Abstract

In the present study, we have been achieved effortless, highly adaptable multi-component synthesis of several biologically active imidazoles derivatives in single pot three components via means of the reaction of ammonium acetate, substituted aldehydes and benzyl using tartaric acid as an effective, highly efficient organocatalyst. The synthesis of all the compounds has been confirmed through elemental analysis, FTIR, 1HNMR, and 13C NMR. All of the produced imidazole derivatives were docked against a bacterial protein [glucosamine-6-phosphate synthase (GlcN-6-P)] which were obtained as of [RCSB protein data bank (PDB ID: 2VF5)] using Autodock-vina and obtained conformations of ligand complexes and proteins (PDB ID: 2VF5) were examined for binding energy and interactions of the docked arrangement via [Molegro Molecular Viewer 2.5 and Ligplot v.1.4.5]. The synthesized compounds were also checked for antimicrobial activities beside human pathogenic bacterial strains “Escherichia coli, Bacillus subtilis, Salmonella typhi, and Pseudomonas aeruginosa”by disk diffusion method by gentamicine reference and a negative control “DMSO”. Some of the Imidazole derivatives were found to have high antibacterial action against “Escherichia coli, Salmonella typhi, Bacillus subtilis”, and moderate activity against “Pseudomonas aeruginosa”.