A new insight for the screening of potential β-lactamase inhibitors

Abstract

The {beta}-lactamase produces by Aeromonas hydrophila which enables to hydrolyze and inactivate {beta}- lactam ring of antibiotics. The homology modeling was used to generate the 3-D model of {beta}-lactamase by using known template 3-D structure. The stereochemical quality and torsion angle of 3-D model were validated. Total eleven effective drugs have been selected and targeted the active amino acid residues in {beta}-lactamase. The drugs were derivative of {beta}-lactam ring antibiotics and screening was made by docking. Out of 11 drugs, 3 drugs (Ampicillin, Astreonam and Sultamicillin) were found to be more potent on the basis of robust binding energy between protein-drug interactions. Additionally, homology of {beta}-lactamase of A. hydrophila resembled with other pathogenic bacteria that used for phylogeny analysis. These findings suggest a new insight for better understanding and useful for designing of novel potent drugs.