Journal Article10.1080/07391102.2014.924877
Investigation for antimicrobial resistance-modulating activity of diethyl malate and 1-methyl malate against beta-lactamase class A from Bacillus licheniformis by molecular dynamics, in vitro and in vivo studies
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TL;DR: Diethyl malate can be used to design the potent inhibitor against beta-lactamase class A, a mesophilic gram-positive bacterium, which has a high potential to produce beta- lactamases class A.
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Abstract: Resistance to antibiotics in bacteria, is one of the major problems of mankind Each year, a large number of patients due to infection, lose their lives One of the main mechanisms of antibiotic resistance is beta-lactamase secretion This enzyme hydrolyzes the amide bond of a lactam ring in beta-lactam antibiotics Bacillus licheniformis is a mesophilic gram-positive bacterium, which has a high potential to produce beta-lactamase class A In this study, the inhibitory effects of some malate analogous were studied by in vitro and in vivo studies In addition, the effects of inhibitor binding on beta-lactamase were studied using MD simulations Our results showed that diethyl malate and 1-methyl malate can decrease the MIC value of benzyl penicillin by sixteen and eight-fold, respectively Data derived from in vitro studies revealed that decrease in MIC values is correlated with beta-lactamase inhibition Molecular docking studies predicted the binding mode of inhibitors with the beta-lactamase active site
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