Molecular Docking Study Of Few Novels Pyrimidine Derivatives On Validated Target Enoyl Acyl Coa Reductase

Abstract

In present work we have designed and docked twenty-five novel pyrimidine derivatives on Enoyl CoA reductase of Mycobacterium tuberculosis which is a validated target for antitubercular agents the results obtained from the simulation were obtained in the form of dock score; these values represent the minimum energies. Pyrimidine Derivatives 10th, 12th, 14th, 22th showed formation of hydrogen bonds with the active site residues and Van Der Walls interactions with Enoyl Acyl CoA reductase of Mycobacterium tuberculosis. This compound can be studied further and developed into a potential antibacterial lead molecule.