QSAR STUDY OF SALICYLANILIDES DERIVATIVES AGAINST VARIOUS MYCOBACTERILAL STRAIN AT AM1 SEMI EMPIRICAL LEVEL
Journal Title: International Research Journal of Pharmacy (IRJP) - Year 2012, Vol 3, Issue 4
Abstract
A QSAR study was performed by quantum chemical calculation only at the AM1 semi empirical levels to calculate the Mulliken’s charges and dipole moment of common atoms for 30 salicylanilides compounds with antimycobacterial activity against Mycobacterium tuberculosis and Mycobacterium kansasii. Stepwise regression analysis is used as statistical tool. The model developed for Mycobacterium tuberculosis indicates the importance of halide substitutions at meta and para position of the phenyl ring attached to carboxamide group towards antitubercular activity. The model developed for Mycobacterium kansasii shows the importance of oxygen atom and carbonyl group of the ester linkage of salicylanilides for activity.
Authors and Affiliations
Supratim Ray
Keywords
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