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).
