title: 3D QSAR analysis of 2-(substituted aryl)-thiazolidine-4-carboxamides as potent antitubercular agents.
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).
authors.forename: Kurre Purna
authors.initials: KP
authors.lastname: Nagasree
authors.forename: Muthyala Murali Krishna
authors.initials: MM
authors.lastname: Kumar
authors.forename: Yejella Rajendra
authors.initials: YR
authors.lastname: Prasad
authors.forename: Dharmarajan
authors.initials: D
authors.lastname: Sriram
authors.forename: Perumal
authors.initials: P
authors.lastname: Yogeeswari
mesh_terms: D000995:Antitubercular Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D015195:Drug Design; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D009169:Mycobacterium tuberculosis / Q000187:drug effects; D021281:Quantitative Structure-Activity Relationship; D053778:Thiazolidines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000995:Antitubercular Agents; D053778:Thiazolidines; C003438:thiazolidine-4-carboxylic acid