In silico selection of novel MurF inhibitors as futuristic antimicrobials

Abstract

MurF is considered as crucial enzyme, having role in bacterial cell wall biosynthesis. Peptidoglycan is a vital component of the bacterial cell wall, providing mechanical resistance to internal osmotic pressure and maintaining the structural integrity and shape of the cell. Molecular docking studies were employed to evaluate the potential of thousands of designed derivatives as an inhibitor of the MurF enzyme (PDB ID 1GG4) by using Schrodinger glide. On the basis of docking results Naringenin and Catechin were selected. The combined docking studies results could be selected as promising antimicrobial agents.