Title:Recent Advances in QSAR-based Identification and Design of Anti-Tubercular Agents
VOLUME: 20 ISSUE: 27
Author(s): Nidhi and Mohammad Imran Siddiqi
Affiliation:Molecular & Structural Biology Division, CSIR-Central Drug Research Institute, Lucknow-226031, India.
Keywords:2D QSAR, 3D QSAR, CoMFA, CoMSIA, Anti-Tubercular Agents.
Abstract:Increasing worldwide incidence and the advent of multi drug resistant and extensively drug resistant tuberculosis raise the
need of new drugs for the treatment of tuberculosis soon. To meet the required pace QSAR-based rational approaches may prove fruitful
as they render rapid and cost-efficient design and optimization of new drug candidates. This review presents a comprehensive overview
of QSAR studies reported for newer anti-tubercular agents including nitroimidazoles, fluoroquinolones, quinoxalines, carboxamides and
other classes of molecules. The article includes review of 2D and 3D-QSAR approaches and the recent trend of integration of these
methods with virtual screening using 3D pharmacophore and molecular docking approaches for the identification and design of novel
anti-tubercular agents.
