Abstract

VIRTUAL SCREENING OF SMALL MOLECULES AGAINST DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE OF MYCOBACTERIUM TUBERCULOSIS

Chelladurai Ramarathanam Subhasree* and Dr. S. Subramaniam

Abstract

Bifunctional dCTP deaminase – Deoxyuridine triphosphatase (dUTPase) from Mycobacterium tuberculosis was selected as drug target from database DDTRP (Database of Drug Targets for Resistant Pathogens) that provides a list of potential drug target for different drug resistant infectious diseases including Tuberculosis (TB).The Deoxycytidine triphosphate deaminase ( dCTP) was docked with 131 molecules screened from four different databases, Pubchem, Drugbank, Zinc, and Chembank. Ninety three molecules were successfully docked with dCTP. Eight molecules, two from each database screened were suggested as better molecules over others to bind with dCTP. These eight molecules taken further studies to check their efficiency in vitro.

Keywords: Tuberculosis, Mycobacterium tuberculoisis, Deoxycytidine triphosphate deaminase, Database for Drug Targets of Resistant Pathogens, Deoxyuridine triphosphatase.