Molecular Docking Analysis of MurAA Inhibitors: Catechin-A Step Toward Overcoming Daptomycin Resistance

Abstract

The rise of vancomycin-resistant Enterococcus faecalis (VRE) poses significant challenges in clinical settings, particularly due to the emergence of resistance to last-resort antibiotics such as daptomycin. MurAA, an essential enzyme involved in bacterial cell wall biosynthesis, represents a potential target for novel antimicrobial strategies. This study investigates the inhibitory potential of various small molecules against E. faecalis MurAA using molecular docking simulations. The binding affinities of five candidate inhibitors (PCID9064, PCID72276, PCID72277, PCID65084, and PCID107905) were assessed and compared against a control ligand (fosfomycin). Our results indicate promising inhibitory potential for selected compounds, suggesting their potential use as alternative therapeutics against VRE infections.