title: Screening of inhibitors for S130G inhibitor resistant mutants of TEM type beta-lactamase.
abstract: Bacteria are remarkably adaptable organisms that acquire an almost limitless competence to survive under unpleasant conditions. The drastic emergence of antibiotic resistance among β-Lactamases is the most serious threat to hospitals and nosocomial settings. β-lactam inhibitors came into existence in order to overcome the problem of antibibiotic resistance in bacteria. The emergence of inhibitor resistant mutants has raised the alarms. In this study we have used structured based virtual screening approach and have screened out some inhibitors against S130G TEM mutant. All the compounds were tested in presence and absence of conserved active site water molecules. These compounds were found be showing much higher efficacy than known β-lactamase inhibitors. Amino acids G130, S70, N132, G130, Y105 and V216 were found crucial for the interaction of inhibitors within the active site.
authors.affiliation: Department of Biotechnology, Microbiology and Bioinformatics, Integral University, Lucknow-226026, India.
authors.forename: Mohd Hassan
authors.initials: MH
authors.lastname: Baig
authors.forename: Mohd
authors.initials: M
authors.lastname: Danishuddin
authors.forename: Saif
authors.initials: S
authors.lastname: Khan
authors.forename: Asad U
authors.initials: AU
authors.lastname: Khan