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A series of 47 indole-3-carboxamide derivatives with their renin inhibitors were subjected to QSAR to derive a correlation between biological activity as a dependent variable and various descriptors as independent variables. The best 2D-QSAR model having cross-validated squared correlation coefficient q2 = 0.7847 with external predictive of pred_r2 = 0.8193. Based on k-nearest neighbor method the...
The present work was carried out to design and develop novel protein kinase casein kinase 2 inhibitors of benzimidazole derivatives using 2D-QSAR, 3D-QSAR, and pharmacophore modeling. The pharmacophore models were observed to be in good correlation with 2D-QSAR and 3D-QSAR predicted activities and had the correlation coefficients (r2) of 0.7832 and 0.7483, respectively. The activities predicted by...
The present work provides the rationale to the changes in the structure to have more potent analogues. Substituted Pyrido [2, 3-d] pyrimidine derivatives were reported to possess potent activity for the angiotensin II AT1 receptor antagonists. 2D-QSAR model developed gave a good predictive correlation coefficient (r2) of 0.7751; a significant, cross-validated correlation coefficient (q2) of 0.7041...
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