Table 3.
Binding parameters between ligands and target protein VEGFR-2
| Phytochemicals | Binding energy (Kcal/mol) | Inhibition constant (µM) | Number of hydrogen bond | Amino acids involved in hydrogen bonding |
|---|---|---|---|---|
| Oleanolic acid | − 9.05 | 0.231 | 2 | ARG 1027, 1LE 1044 |
| Panaxadiol | − 9.51 | 0.106 | 3 | ARG 1027, HIS 1026, ILE 1044 |
| Panaxatriol | − 9.13 | 0.202 | 3 | ARG 1027, HIS 1026, 1LE 1044 |
| Ursolic acid | − 9.11 | 0.210 | 3 | ASP 814, ARG 1027, ILE 1044 |
| Withaferin A | − 9.53 | 0.103 | 2 | GLU 885, ILE 1025 |
| Hecogenin | − 9.82 | 0.314 | 2 | ARG 1027, GLU 818 |
| Dovitinib (Standard drug) | − 8.84 | 0.332 | 1 | GLU 917 |
| Gefitinib (Standard drug) | − 8.70 | 0.423 | 2 | ASP 1046, CYS 919 |