Abstract

MOLECULAR DOCKING STUDIES OF NATURAL ANTIMICROBIAL COMPOUND FROM AZADIRACHTA INDICA AGAINST SELECTED TARGET PATHOGEN PSEUDOMONAS FLUORESCENS

Dinesh Kumar G., Karthik M. and Rajakumar R.*

ABSTRACT

In drug development, in-silico approaches play a key role to explore molecular aspects of targeting specific proteins through various tools and software. It also analyze the bioactivities and inhibitory effects across mechanisms underlying for treatment of several bacterial diseases. Medicinal plants have been the single most productive source of leads for the drug development thus played a vital role in treating and preventing a wide range of diseases throughout the world. In the present investigation, A.indica was examined for their antibacterial activity particularly against P.fluorescens. In this study the bioactive compounds were identified from Gas Chromatography-Mass Spectrometry (GC-MS) analysis. The identified compounds are docked against AprX enzyme through molecular docking. The identified compound α-D-Glucopyranoside, α-D-glucopyranosyl is a best bioactive compound against AprX enzyme based on energy values. This research work was helpful attempt to the drug discovery against pathogenic P. fluorescens.

Keywords: Azadirachta indica, P.fluorescens, ?-D-Glucopyranoside, ?-D-glucopyranosyl, AprX enzyme