Homology modeling and virtual screening approaches to identify potent inhibitors of VEB-1 β-lactamase.

ABSTRACT:

Background

blaVEB-1 is an integron-located extended-spectrum β-lactamase gene initially detected in Escherichia coli and Pseudomonas aeruginosa strains from south-east Asia. Several recent studies have reported that VEB-1-positive strains are highly resistant to ceftazidime, cefotaxime and aztreonam antibiotics. One strategy to overcome resistance involves administering antibiotics together with β-lactamase inhibitors during the treatment of infectious diseases. During this study, four VEB-1 β-lactamase inhibitors were identified using computer-aided drug design.

Methods

The SWISS-MODEL tool was utilized to generate three dimensional structures of VEB-1 β-lactamase, and the 3D model VEB-1 was verified using PROCHECK, ERRAT and VERIFY 3D programs. Virtual screening was perfor

SUBMITTER: Messaoudi A 

PROVIDER: S-EPMC3668210 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature