In-silico screening and in-vitro validation of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) inhibitors

VEGFR-2 tyrosine kinase receptor draws attention of the scientific fraternity in drug discovery for its important role in cancer,cardiopulmonary, cardiovascular diseases etc. Hence there is a need for novel VEGFR-2 inhibitors screening and testing for theirbiological activities. The 3D-structure was collected from PDB and stability was checked by using WHATIF and PROCHECKprograms and subjected for virtual screening on Zinc database. We used virtual screening method to screen new VEGFR-2 blockermolecules based on their binding energies and then docked with active site on the receptor with the help of AUTODOCK software.Based on the results obtained top three molecules (VRB1-3) were selected and tested in Cardiomyocytes H9c2 cells for cell viabilityunder hypoxic condition. The invitro studies showed VRB2 as the best molecule among the selected three molecules as well as witha standard commercial drug Sunitinib.