3D QSAR Analysis of 2-(Substituted Aryl)-Thiazolidine-4-Carboxamides as Potent Antitubercular Agents
| Autor: | Yejella Rajendra Prasad, Perumal Yogeeswari, Dharmarajan Sriram, Kurre Purna Nagasree, Muthyala Murali Krishna Kumar |
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| Rok vydání: | 2015 |
| Předmět: |
Models
Molecular Quantitative structure–activity relationship Stereochemistry Aryl Thiazolidine Antitubercular Agents Quantitative Structure-Activity Relationship Microbial Sensitivity Tests Mycobacterium tuberculosis General Medicine Combinatorial chemistry chemistry.chemical_compound chemistry Drug Design Drug Discovery Thiazolidines Molecular Medicine Molecule |
| Zdroj: | Current Computer Aided-Drug Design. 10:274-281 |
| ISSN: | 1573-4099 |
| DOI: | 10.2174/1573409910666141121100515 |
| Popis: | 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). |
| Databáze: | OpenAIRE |
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