Molecular docking studies of novel Carbazole tethered pyrrole derivatives as potent inhibitors of Mycobacterium tuberculosis
Md. Perwez Alam Ansari
Recent focus in the tubercular drug research is on the development of agents inhibiting the enzyme targets involved in potential role in the life cycle of the pathogen. Inh A, the enoyl acyl carrier protein reductase from Mycobacterium tuberculosis is one of the key enzymes involved in the mycobacterial fatty acid elongation cycle and has been considered as a promising target in antitubercular screening. Inhibition of Inh A disrupts the biosynthesis of the mycolic acids that are central constituents of the mycobacterial cell wall. In the present research work the docking studies was performed on the human pathogenic bacterial enzyme InhA from its parent domain Mycobacterium Tuberculosis. In this present study, the flexible and extra precision docking simulation were performed on twenty new carbazole tethered pyrrole derivative against InhA by using Glide v5.6. All the derivatives were considered and docked as well as bound to ligand binding domain EAcCPR. All the compounds show good Glide score as compared to isoniazid as standard drug. Compound MA8 showing highest glide score (-9.518). The result obtain were valuable for synthesis and thereafter biological screening of promising hits and it could be useful for development of new anti- tubercular agents.
How to cite this article:
Md. Perwez Alam Ansari. Molecular docking studies of novel Carbazole tethered pyrrole derivatives as potent inhibitors of Mycobacterium tuberculosis. Pharma Innovation 2017;6(9):187-189.