Lobo, Richard and Pai, Aravinda (2018) Pharmacophore and Atom Based 3D QSAR Approach for the Development Of Novel Kinase Specific Antitumour Agents. Latin American Journal of Pharmacy, 37 (8). pp. 1498-1503. ISSN 0326 2383

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Abstract

The present study envisages a fast and reliable 3D QSAR approach utilising pharmacophore mapping for the identification of specific inhibitors for the CDK2 inhibitors belonging to the kinase class.The model generated resulted in a statistically significant 3D QSAR equation with regression coefficient value of ( r2 = 0.8131) and cross validation coefficient value of (q2 =0.8991). The generated QSAR equation was validated by leave one out method. The present model could be used in the design of novel and specific inhibitors of CDK2.

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