Pharmacophore and Atom Based 3D QSAR Approach for the Development Of Novel Kinase Specific Antitumour Agents

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

[img] PDF
4847 DisplayPdf.pdf - Published Version
Restricted to Registered users only

Download (632kB) | Request a copy

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.

Item Type: Article
Uncontrolled Keywords: Flavones; Pharmacophore; QSAR; Tankyrase
Subjects: Pharmacy > MCOPS Manipal > Pharmaceutical Chemistry
Pharmacy > MCOPS Manipal > Pharmacognosy
Depositing User: KMC Library
Date Deposited: 21 Aug 2018 06:09
Last Modified: 21 Aug 2018 06:09
URI: http://eprints.manipal.edu/id/eprint/151788

Actions (login required)

View Item View Item