INHIBITION OF MYCOBACTERIUM TUBERCULOSIS ENOYL ACP REDUCTASE InhA BY NOVEL SERIES OF 1,2,4-TRIAZOLE DERIVATIVES

Shiny George*, Neethu Dasan and Babu G.

ABSTRACT

Here we report the insilico antitubercular evaluation of a series of novel 1, 2, 4-triazole derivatives. Molecular docking was carried out on enoyl ACP reductase from Mycobacterium tuberculsosis using arguslab, which is one of the key enzymes involved in type II fatty acid biosynthetic pathway of Mycobacterium tuberculosis, an attractive target for designing novel antitubercular agents. Docking study of the compounds were carried out using Argus lab software and then it is loaded in to molegro molecular viewer or pymol viewer to find out hydrogen bonding, hydrophobic, vandervals and actual binding interaction of the molecules on its target InhA. Ligand binding site prediction was carried out using FT-Site server. Compounds 4a6 and 4a7 exhibited the highest antitubercular activity almost close to isoniazid. All other compounds showed good activity.

Keywords: 1,2,4-triazole, InhA, docking.