3D-QSAR and Docking Studies on Pyrazolo[4,3-h]qinazoline-3-carboxamides as Cyclin-dependent Kinase 2 (CDK2) Inhibitors

3D-QSAR and docking studies were performed on a series of pyrazolo[4,3-h]quinazoline-3-carboxamides as CDK2/CyA inhibitors. The CoMFA and CoMSIA models using 54 molecules in the training set, gave r_cv² values of 0.644 and 0.507, r² values of 0.959 and 0.951, respectively.