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.
|Number of pages||6|
|Journal||Latin American Journal of Pharmacy|
|Publication status||Published - 01-01-2018|
All Science Journal Classification (ASJC) codes
- Pharmaceutical Science
- Drug Discovery