Due to this increasing problem of antibiotic resistance, the number of different antibiotics available is dwindling and there are only a handful of new antibiotics in the drug development pipeline. Therefore, there is an urgent need for the development of new antimicrobial drugs. In the present study, we have synthesized and investigated antimicrobial activities of novel derivatives with molecular docking studies. In this article, amide derivatives of 2-(3-methylbenzo[b]thiophen-6-yl)-1-(4-nitrophenyl)-1H-benzo[d] imidazole-5-carboxylic acid were synthesized by focusing the aminoacyl-tRNA synthetase (AaRS) and tyrosyl-tRNA synthetase enzymes and inhibition by docking study leads to antimicrobial action. Studies were carried out on a designed amide library of derivatives with the help of Schrodinger’s maestro package and AutoDock Vina 4.2 of molecular docking software against crystal structure of enzymes (PDB ID: 1wny. PDBQTand1jil. PDBQT). Best 23 focused amide derivatives of 2-(3-methylbenzo[b]thiophen-6-yl)-1- (4-nitrophenyl)-1H-benzo[d]imidazole-5-carboxylic acid were selected based upon their dock score for synthesis and further investigated for in vitro antimicrobial.
Key words: Benzimidazole, Molecular Docking (1jil.PDBQT, 1wny.PDBQT), Antimicrobial Activity, SAR.