Synthesis, anti-tubercular activity and 3D-QSAR study of coumarin-4-acetic acid benzylidene hydrazides.
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.
Manvar
Atul
A
Department of Chemistry, Saurashtra University, University Road, University Campus, Rajkot 360 005, Gujarat, India.
Malde
Alpeshkumar
A
Verma
Jitender
J
Virsodia
Vijay
V
Mishra
Arun
A
Upadhyay
Kuldip
K
Acharya
Hrishikesh
H
Coutinho
Evans
E
Shah
Anamik
A
D019342:Acetic Acid / Q000737:chemistry*; D000995:Antitubercular Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D001547:Benzaldehydes / Q000737:chemistry*; D003374:Coumarins / Q000737:chemistry*; D006834:Hydrazines / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D008958:Models, Molecular; D015394:Molecular Structure; D009169:Mycobacterium tuberculosis / Q000187:drug effects; D021281:Quantitative Structure-Activity Relationship
D000995:Antitubercular Agents; D001547:Benzaldehydes; D003374:Coumarins; D006834:Hydrazines; C029424:hydrazine; C030123:coumarin; D019342:Acetic Acid