Sanjay  Bari,Prashant Chaudhari,Vinod  Ugale,
In-Silico 3D QSAR And Pharmacophore Mapping of C-Kit Inhibitors Towards Anticancer Drug Development
Clinical Oncology and Research
2018
2613-4942
http://dx.doi.org/10.31487/j.COR.2018.10.004
https://www.sciencerepository.org/In-Silico-3D-QSAR-and-pharmacophore-mapping-of-C-Kit-inhibitors-towards-anticancer-drug-development_COR-1-104 
Abstract: 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. Keywords: c-KIT inhibitors,  indolin-2-one,  pharmacophore,  3D QSAR