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 rcv2 values of 0.644 and 0.507, r2 values of 0.959 and 0.951, respectively.


Ping Lan, Wan-Na Chen, Gao-Keng Xiao, Ping-Hua Sun, Wei-Min Chen,
November 15, 2010
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