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Eur J Med Chem. 2008 Nov;43(11):2395-403. doi: 10.1016/j.ejmech.2008.01.016. Epub 2008 Jan 29.

Synthesis, anti-tubercular activity and 3D-QSAR study of coumarin-4-acetic acid benzylidene hydrazides.

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  • 1Department of Chemistry, Saurashtra University, University Road, University Campus, Rajkot 360 005, Gujarat, India.

Abstract

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.

PMID:
18328603
[PubMed - indexed for MEDLINE]
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