3D-QSAR FOR α-GLUCOSIDASE INHIBITORY ACTIVITY OF N-(PHENOXYALKYL) PHTHALIMIDE DERIVATIVES
Samira Mbarki, Menana El Hallaoui, dguigui khalid · 2012
Three-dimensional quantitative structure-activity relationship (3D-QSAR) models were developed for 37 N- (phenoxyalkyl)phthalimide derivatives, inhibiting alpha-glucosidase. 3D-QSAR investigations, applied to find a correlation between the different physicochemical parameters of the compounds studied and their biological activity, were carried out using multiple linear regression (MLR) and neural network (NN). The results of MLR and NN showed good correlations (r values of 0.943 and 0.979, respectively) between the descriptors and alpha-Glucosidase inhibitory activity. To test the performance of this model we have used the cross validation method ( r= 0.866).