Pharmacophore Modeling and Virtual Screening Studies on Colony Stimulating Factor 1 Receptor ( CSF 1 R ) Inhibitors (original) (raw)

2014

Abstract

CSF-1R is a member of the class III receptor tyrosine kinases, along with c-Kit, Flt3, and PDGFR α and β. Colony stimulatory factor 1 (CSF-1), also known as macrophage/monocyte colony stimulatory factor (M-CSF), binds to CSF-1R, resulting in dimerization, autophosphorylation, and activation of signal transduction. To identify potent inhibitors against CSF-1R we deployed rational approaches of drug discovery. In current study, pharmacophore models were generated using a set of 118 structurally diverse compounds out of which 19 were chosen as training set and 99 as test set with an inhibitory activity ranging from 0.4 to 2100 ηM . The model was further validated using a test set of 99 compounds and got a correlation of 0.75. Virtual screening was performed using validated pharmacophore query against inhouse database of 20,000 compounds. Docking analysis was performed for a set of virtual hits with high predictive activity and structural diversity using Glide. Docking was performed in ...

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