3D QSAR Analysis of 2-(Substituted Aryl)-Thiazolidine-4-Carboxamides as Potent Antitubercular Agents

Title:3D QSAR Analysis of 2-(Substituted Aryl)-Thiazolidine-4-Carboxamides as Potent Antitubercular Agents

Volume: 10 Issue: 3

Author(s): Kurre Purna Nagasree, Muthyala Murali Krishna Kumar, Yejella Rajendra Prasad, Dharmarajan Sriram and Perumal Yogeeswari

Affiliation:

Keywords: COMFA, COMSIA, 3D QSAR, electrostatic, steric, thiazolidine, tuberculosis.

Abstract: Thiazolidine-4-carboxylic acid derivatives were recognized recently for their potent antitubercular activity. A total of sixty four thiazolidine derivatives published in the recent times were collected and 3D QSAR models were developed, using CoMFA and COMSIA with high predictability. Later, we selected three new molecules, recently synthesized in our lab and evaluated them using the developed QSAR models. The in vitro antitubercular activity (MIC) obtained for these new molecules is in agreement with the predicted values (pMIC).

Cite this article as:

Nagasree Kurre Purna, Kumar Muthyala Murali Krishna, Prasad Yejella Rajendra, Sriram Dharmarajan and Yogeeswari Perumal, 3D QSAR Analysis of 2-(Substituted Aryl)-Thiazolidine-4-Carboxamides as Potent Antitubercular Agents, Current Computer-Aided Drug Design 2014; 10 (3) . https://dx.doi.org/10.2174/1573409910666141121100515