Abstrato

A QSAR Study on ATP-Sensitive Potassium Channel Openers : The Derivatives of 3-Alkylamino-4h-1, 2, 4-Benzothiadiazine 1, 1-Dioxide

B. K. Sharma, S. K. Sharma, Pradeep Pilania, P. Singh and Yenamandra S. Prabhakar

The structure-activity models of the myorelaxant effects of the 3-alkylamino-4H-1,2,4- benzothiadiazine 1,1-dioxide derivatives have been investigated with 695 three dimensional descriptors from DRAGON software using Combinatorial Protocol in Multiple Linear Regression (CP-MLR). Among the 3D-descriptor classes in the study, the contractile activity is correlated with 3D-MoRSE, GETAWAY and WHIM class of descriptors. The models developed, and the participating descriptors suggest that the substituent groups of dioxide derivatives hold scope for further modification in the optimization of activity. The significant predictive ability of these models observed for the test-set of molecules makes these models useful for designing new compounds with good myorelaxant properties.