In silico and in vitro approach of Allium cepa and isolated Quercetin (cas 117-39-5) against MDR bacterial strains and Mycobacterium smegmatis

Add time:09/01/2019    Source:sciencedirect.com

Pathogenic microorganisms have emerged as Multi Drug Resistant (MDR) and in the past years the infectious diseases caused by MDR have increased dramatically. The aim of this study is to investigate the antibacterial potential of Allium cepa and isolated Quercetin (cas 117-39-5) along with molecular docking with the proteins responsible for drug resistance. Methanol extract of A. cepa was prepared and the quercetin was isolated by collecting the fraction using HPLC. Antibacterial activity against three MDR bacterial strains i.e. Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumonia and two strains of Mycobacterium smegmatis were analyzed. The results showed that A. cepa methanol extract and isolated quercetin have good antibacterial activity. MIC values of quercetin were very less compared to the methanol extract of the A. cepa which shows that the quercetin is active at concentration of 80, 40, 40, 20 and 20 μg/ml against E. coli MDEREC1, P. aeruginosa MDRKP2, K. pneumonia MDRPA3, M. smegmatis 06, M. smegmatis 994 respectively. Molecular docking was done for the confirmation of stable binding of quercetin with the proteins involved in the metabolism of bacteria. Quercetin form the most stable complex with β-lactamase with the binding energy of the −4.80 Kcal/mol which is higher than the binding energy of −2.62, −3.62 and −4.6 Kcal/mol with gyarse A, 2-trans-enoyl-acyl carrier protein reductase-inhA and topoisomerase IV respectively. Thus these studies suggest that quercetin may be used as a drug against the MDR bacteria and M. smegmatis infections.

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