Quantitative Structure Activity Relationship of Some Substituted 2-Aminopyridines and Fused Bicyclic Rings as inhibitors of Nitric Oxide Synthases

In the present work, QSAR study has been performed to explore physicochemical requirements of some substituted 2- aminopyridines and fused rings as inhibitors of Nitric Oxide Synthases. QSAR study has been carried out for two isoforms of the Nitric Oxide Synthases (eNOS and nNOS). QSAR models were derived by stepwise multiple regression analysis employing the method of least squares. The best QSAR model describing the Nitric Oxide Synthases inhibitory activity of 2- Aminopyridine and fused bicyclic ring system was selected on the basis of statistical significance and predictive ability as gauged by cross-validation procedure and external test-set method. The statistical quality of generated equations was evaluated considering parameters like correlation coefficient (r), standard error of estimation (SEE), Fischer ratio (F). The predictive ability of models was checked by external test set by calculating Q². The result of present study may be useful for designing more potent aminopyridine analogues as inhibitors of nitric oxide synthases.