title: Synthesis, anti-tubercular activity and 3D-QSAR study of coumarin-4-acetic acid benzylidene hydrazides.
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.
authors.affiliation: Department of Chemistry, Saurashtra University, University Road, University Campus, Rajkot 360 005, Gujarat, India.
authors.forename: Atul
authors.initials: A
authors.lastname: Manvar
authors.forename: Alpeshkumar
authors.initials: A
authors.lastname: Malde
authors.forename: Jitender
authors.initials: J
authors.lastname: Verma
authors.forename: Vijay
authors.initials: V
authors.lastname: Virsodia
authors.forename: Arun
authors.initials: A
authors.lastname: Mishra
authors.forename: Kuldip
authors.initials: K
authors.lastname: Upadhyay
authors.forename: Hrishikesh
authors.initials: H
authors.lastname: Acharya
authors.forename: Evans
authors.initials: E
authors.lastname: Coutinho
authors.forename: Anamik
authors.initials: A
authors.lastname: Shah
mesh_terms: 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
chemical_list: D000995:Antitubercular Agents; D001547:Benzaldehydes; D003374:Coumarins; D006834:Hydrazines; C029424:hydrazine; C030123:coumarin; D019342:Acetic Acid