Antiangiogenic Activity and Pharmacogenomics of Medicinal Plants from Traditional Korean Medicine

Table 4

In silico molecular docking to VEGFR1 and VEGFR2 of selected phytochemicals from antiangiogenic plants derived from traditional Korean medicine. (Residues marked bold are the drug binding residues).

Receptors	Compounds	Lowest energy of docking (kcal/mol)	Mean binding energy (kcal/mol)	Residues involved hydrogen bond interaction with the ligand	Number of residues involved in hydrophobic interaction with ligand
VEGFR1	Axitinib (control drug)	−12.71	−12.38	Glu 878, Cys 912, Glu 910, Asp 1040	12
	Eriodictyol tetraacetate	−9.92	−9.27	Asp 1040	14
	Quercetin	−9.01	−8.51	Glu 878, Glu 910, Cys 912	9
	Apigenin	−8.85	−8.56	Glu 878,Cys 912, Asp 1040	11
	Resveratrol	−7.89	−7.72	Lys 861, Glu 878,Cys 912	10
	Emodin	−7.30	−7.30	Leu 833, Glu 910, Cys 912	10
	Verbascoside	−6.93	−4.95	Arg 1021, Asp 1022, Asp 1040	11
VEGFR2	Axitinib (control drug)	−12.39	−12.20	Glu 917, Asp 1046	14
	Eriodictyol tetraacetate	−10.56	−9.85	Ala 1050	18
	Verbascoside	−9.99	−5.33	His 816, Thr 916, Asp 1046, Ala 1050	19
	Apigenin	−9.04	−9.01	Lys 868, Cys 919, Asp 1046	11
	Quercetin	−8.29	−8.18	Ala 881, Glu 885, Ile 1025, Ile 1044	11
	Resveratrol	−8.15	−8.05	Lys 868, Cys 919, Asp 1046	9
	Emodin	−7.63	−7.35	Ile 1025, Asp 1046	9