PT  - JOURNAL ARTICLE
AU  - Vijai Singh
AU  - Dharmendra Kumar Chaudhary
TI  - A new insight for the screening of potential β-lactamase inhibitors
AID  - 10.1101/005181
DP  - 2014 Jan 01
TA  - bioRxiv
PG  - 005181
4099  - http://biorxiv.org/content/early/2014/05/14/005181.short
4100  - http://biorxiv.org/content/early/2014/05/14/005181.full
AB  - 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.