In-Silico 3D QSAR And Pharmacophore Mapping of C-Kit Inhibitors Towards Anticancer Drug Development

Author Info

Sanjay Bari Prashant Chaudhari Vinod Ugale

Corresponding Author

Prashant Chaudhari
Division of Computer Aided Drug Design and Discovery, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, Dist.-Dhule, Maharashtra, 425 405, India

A B S T R A C T

c-KIT is a receptor tyrosine kinase reported in, small cell lung cancer and other human cancers. Marketed c-KIT inhibitors are suffering from tribulations of getting resistance and/or potential cardio toxicity. To identify potential novel c-KIT inhibitors, in the present project work, we have built an atom-featured 3D QSAR model using Schrodinger’s Maestro 9.0 molecular modeling suit. The developed 3D QSAR model ‘ADHRR.21’ is statistically significant (R2=0.8764, Q2 =0.7432) and instituted to be robust enough with good predictive accuracy, confirmed by external validation approaches, Y-randomization.

Article Info

Article Type

Research Article

Publication history

Received: Sat 03, Mar 2018
Accepted: Mon 19, Mar 2018
Published: Mon 02, Apr 2018

Copyright

© 2023 Prashant Chaudhari. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Hosting by Science Repository.
DOI: 10.31487/j.COR.2018.10.004