The Bioscan, 3 (1) 39-42, 2008 An International Quarterly Journal of Life Sciences web site: www.thebioscan.in |
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QSAR STUDIES OF SOME HETEROCYCLIC ANALOGS OF THIADIAZOLIDINONES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS |
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A.M. KUDAL*, S.A. POLSHETTIWAR AND M.S. WANI |
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KEY WORDS QSAR |
ABSTRACT In the present study, all computational work was carried out by performing a 2D and 3D structure activity relationship on one of the series of substituted thiadiazolidinones as Glycogen Synthase Kinase 3-beta inhibitors. Various physicochemical parameters were calculated, using C.S. Chem office software. Quantitative structure activity models were generated for glycogen synthase kinase -3 beta inhibitory activity using stepwise, sequential multiple regression analysis. Statistically significant models were obtained. The studies indicated that the activity is dependent on structural and electronic descriptors, that is substitution or structural changes in the lead nucleus could yield potent glycogen synthase kinase -3 beta inhibitors. |