Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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CoMFA Study, Syntheses, Antitubercular and Anticancer Activity of Some Novel 1,4-Dihydropyridines

Author(s): B.R. Prashantha Kumar, S. Yuvaraj, Anil Srivastava, Vanitha Chaturvedi, Y. K. Manju, B. Suresh, M. J. Nanjan.

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

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Article Details

VOLUME: 5
ISSUE: 1
Year: 2008
Page: [7 - 14]
Pages: 8
DOI: 10.2174/157018008783406688