INSILICO MOLECULAR DOCKING OF SOME NOVEL HETEROCYCLIC COMPOUNDS TARGETING VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR-2

G. Krishnamoorthy*, S. Shakila Banu, R. Senthamarai and A. M. Ismail

ABSTRACT

Molecular docking provides useful information about drug receptor interactions. It analyzes the binding orientation of small molecule drug candidates to their protein targets in order to predict the affinity and activity of the small molecule. In the present study eight Pyrimidine derivatives containing substituted Imidazole moiety 14(a–h) were subjected to molecular docking studies for the inhibition of the Vascular Endothelial Growth Factor Receptor-2 (VEGFR2) PDB ID 1VR2. The insilico molecular docking study results showed that, among the newly designed heterocyclic compounds, the compound 14h showed minimum binding energy and have good affinity towards the active pocket, thus, they may be considered as good inhibitor of Vascular Endothelial Growth Factor Receptor-2.

Keywords: Docking, Vascular Endothelial Growth Factor Receptor-2, Pyrimidine, Autodock.