Abstract

QSAR STUDY OF 7-CHLOROQUINOLINE DERIVATIVES AS ANTITUBERCULAR AGENTS

Ravichandran Veerasamy*, Shalini Sivadasan, Sokkalingam Arumugam Dhanaraj, Harish Rajak and Suresh Kumar

ABSTRACT

The major issue for many antimycobacterial agents is the resistance of Mycobacterium tuberculosis strains. Quinoline compounds serve as anti-mycobacterial agents with encouraging anti-tubercular activity. A linear quantitative structure activity relationship (QSAR) model is presented for modeling and predicting anti-tubercular activity of 7- chloroquinolines. The database consisting of eight 7-chloroquinolines was used to develop the model using step-wise multiple linear regression technique. The developed QSAR model was validated and evaluated for statistical significance. Physiochemical descriptors serve as the first line guidance for the design of potent and novel antitubercular agents. The key conclusion of this study is that the number of hydrogen bond acceptors and LR1 significantly influence the anti-tubercular activity of novel 7- chloroquinoline derivatives.

Keywords: Anti-tubercular agents; tuberculosis; quantitative structure activity relationship; 7-chloroquinoline derivatives