DFT Based QSAR/QSPR Models in the Development of Novel Anti-tuberculosis Drugs Targeting Mycobacterium tuberculosis

Title:DFT Based QSAR/QSPR Models in the Development of Novel Anti-tuberculosis Drugs Targeting Mycobacterium tuberculosis

Volume: 20 Issue: 27

Author(s): Sanchaita Rajkhowa and Ramesh C. Deka

Affiliation:

• Department of Chemical Sciences, Tezpur University, Napaam, Tezpur, Assam-784028, India.,India

Keywords: Tuberculosis, 2D QSAR, 3D QSAR, DFT.

Abstract: Tuberculosis caused by Mycobacterium tuberculosis is an infectious bacterial disease which is a leading cause of mortality affecting more than 9 million people worldwide. The current standard regimens that are available for the treatment of TB are severely hampered due to the occurrence of multidrug-resistant (MDR-TB) and extensively drug-resistant (XDR-TB) strains of Mycobacterium tuberculosis. In the past few years, a huge and constantly expanding effort has been developed to understand the chemical-biological interaction of many new anti-tubercular drugs and their targets in mathematical terms. Here, we have elected to review only those studies concerning 2D and 3D QSAR models that contain different DFT based descriptors as their parameters.

Cite this article as:

Rajkhowa Sanchaita and Deka C. Ramesh, DFT Based QSAR/QSPR Models in the Development of Novel Anti-tuberculosis Drugs Targeting Mycobacterium tuberculosis, Current Pharmaceutical Design 2014; 20(27) . https://dx.doi.org/10.2174/1381612819666131118165824