Abstract
1,4-dihydropyridines are the emerging class of antitubercular agents. In this protocol we present, the syntheses, characterization details for the conformation of structures, antitubercular and anticancer activity results for some novel 1,4-dihydropyridines. The comparative molecular field analysis (CoMFA) model for 1,4-dihydropyridines was derived. The 3D QSAR model demonstrated good ability to predict activity of studied compounds (r2 = 0.97, q2 = 0.81). Based on the CoMFA steric and electrostatic contour maps, structure activity relationships were established for antitubercular activity.
Keywords: 1,4-Dihydropyridines, Antitubercular activity, CoMFA, 3D-QSAR, Anticancer activity
Letters in Drug Design & Discovery
Title: CoMFA Study, Syntheses, Antitubercular and Anticancer Activity of Some Novel 1,4-Dihydropyridines
Volume: 5 Issue: 1
Author(s): B.R. Prashantha Kumar, S. Yuvaraj, Anil Srivastava, Vanitha Chaturvedi, Y. K. Manju, B. Suresh and M. J. Nanjan
Affiliation:
Keywords: 1,4-Dihydropyridines, Antitubercular activity, CoMFA, 3D-QSAR, Anticancer activity
Abstract: 1,4-dihydropyridines are the emerging class of antitubercular agents. In this protocol we present, the syntheses, characterization details for the conformation of structures, antitubercular and anticancer activity results for some novel 1,4-dihydropyridines. The comparative molecular field analysis (CoMFA) model for 1,4-dihydropyridines was derived. The 3D QSAR model demonstrated good ability to predict activity of studied compounds (r2 = 0.97, q2 = 0.81). Based on the CoMFA steric and electrostatic contour maps, structure activity relationships were established for antitubercular activity.
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Kumar Prashantha B.R., Yuvaraj S., Srivastava Anil, Chaturvedi Vanitha, Manju K. Y., Suresh B. and Nanjan J. M., CoMFA Study, Syntheses, Antitubercular and Anticancer Activity of Some Novel 1,4-Dihydropyridines, Letters in Drug Design & Discovery 2008; 5 (1) . https://dx.doi.org/10.2174/157018008783406688
DOI https://dx.doi.org/10.2174/157018008783406688 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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