Fig. 6.

Ellagic acid interacted with the ATP-binding sites of VEGFR-2 kinase domain. The LigandFit algorithm in Discovery Studio 2.1 was applied to predict the binding mode of ellagic acid within ATP-binding domain of VEGFR-2 kinase. As anticipated, ellagic acid could stably bind to the ATP-binding pocket near the hinge region, which connected N- and C-lobes within VEGFR-2 catalytic domain. Specifically, ellagic acid formed hydrogen bonds with residues Lys866 and Glu883. Besides, ellagic acid could form strong π–π interactions with Phe1045