May 14, 2014

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

BioRxiv : the Preprint Server for Biology
Vijai Singh, Dharmendra Kumar Chaudhary

Abstract

The β-lactamase produces by Aeromonas hydrophila which enables to hydrolyze and inactivate β- lactam ring of antibiotics. The homology modeling was used to generate the 3-D model of β-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 β-lactamase. The drugs were derivative of β-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 β-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.

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Mentioned in this Paper

Monobactams
Torsion (Malposition)
beta-Lactams
Aeromonas hydrophila
Antibiotic throat preparations
Pathogenic Organism
Antifungal Antibiotics, Topical
Homology Modeling
Lactamase
Docking -molecular Interaction

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