AN IN-SILICO APPROACH TO DRUG DESIGNING ON NOVEL TARGET FOR TUBERCULOSIS CAUSED BY MYCOBACTERIUM TUBERCULOSISAbstract
Worldwide, Tuberculosis (TB) remains the most frequent and important infectious disease caused by Mycobacterium tuberculosis (Mtb). TB Structural Genomics Consortium (TBSGC) reported 79,144 deaths and 26.9 lakh cases in 2019 (WHO). Although tuberculosis is a curable disease, the chances of a cure become slim as the disease becomes multidrug-resistant, and the situation gets even worse as the disease becomes extensively drug-resistant. The emergence of multidrug-resistant varieties of Mycobacterium tuberculosis has led to a search for novel drug targets. The objective of this paper is based on the drug designing for the potential drug target Murd Ligase protein from M. Tuberculosis. This drug target is involved in vital aspects of the pathogen’s metabolism, persistence, virulence, and cell wall biosynthesis. In this study, we have built a homology model of the protein Murd Ligase based on homology technique using SPDBV and further, the model is analyzed with various existing drugs and docking enzyme inhibitors that reveal the structural information for the development of effective anti-tuberculosis drugs using in-silico.