期刊
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
卷 43, 期 11, 页码 2395-2403出版社
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2008.01.016
关键词
Coumarin-hydrazides; Anti-tubercular activity; CoMFA; 3D-QSAR study
资金
- Council of Scientific and Industrial Research (CSIR), India
- BCP [8022/RID/NPROJ/RPS-5/2003-04]
A set of 25 coumarin-4-acetic acid benzylidene hydrazides were synthesized and characterized by NMR, IR and mass spectroscopic techniques. The compounds were evaluated for their anti-tubercular activity against Mycobacterium tuberculosis H(37)Rv strain using the BACTEC 460 system to determine percentage inhibition. To understand the relationship between structure and activity, a 3D-QSAR analysis has been carried out by Comparative Molecular Field Analysis (CoMFA). Several statistically significant CoMFA models were generated. The CoMFA model generated with database alignment was the best in terms of overall statistics. The CoMFA contours provide a good insight into the structure activity relationships of the compounds reported herein. (C) 2008 Elsevier Masson SAS. All rights reserved.
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