Abstract

IN-SILICO DESIGNING AND DOCKING STUDIES OF 1,3,4-OXADIAZOLE LINKED QUINOXALINE DERIVATIVES AS ANTIMICROBIAL AGENTS

Anju K.* and Arunlal V. B.

ABSTRACT

Heterocyclic compounds furnish a basic platform for the building of newer entities and have captured wide spread interest because of their abundance in natural products and their diverse biological properties. Amongst all, heterocyclic molecules containing nitrogen and oxygen are known to display interesting biological activities. The diverse biological properties of these heterocyclic scaffolds prompted us to continue to the development of highly bioactive molecules. In this context, A new series of 1, 3, 4-Oxadiazole linked quinoxaline derivatives was designed. The present study involved preliminary In-silico screening of various novel analogues for quantifying their drug likeness using Molinspiration cheminformatics online tool and ADMET prediction by using Pre-ADMET software. Analogues were docked with suitable protein (DNA gyrase (3G7E) and 14α-demethylase (5TZ1)) using AutoDock software and visualization by using Biovia discovery studio software.

Keywords: 1, 3, 4-Oxadiazole, Quinoxaline, Molinspiration, Pre-ADMET, AutoDock, Antimicrobial.