Table 3.
Molecular docking: established inhibitors against VEGFR-2.
PubChem ID | Name | MolDock score (KJ/mol) | Re-rank score (KJ/mol) | MW (g/mol) |
---|---|---|---|---|
[00] 369976 | Tnp-470 | − 116.686 | − 88.4552 | 401.882 |
[00] 208908 | Lapatinib | − 131.941 | − 88.4185 | 581.058 |
[01] 369976 | Tnp-470 | − 111.987 | − 87.8381 | 401.882 |
[02] 369976 | Tnp-470 | − 114.702 | − 87.0651 | 401.882 |
[01] 25017411 | Anlotinib | − 114.843 | − 85.8629 | 407.437 |
[00] 25102847 | Cabozantinib | − 115.648 | − 85.6008 | 501.506 |
[01] 208908 | Lapatinib | − 137.694 | − 85.1272 | 581.058 |
[03] 25102847 | Cabozantinib | − 106.648 | − 84.6492 | 501.506 |
[04] 25017411 | Anlotinib | − 119.836 | − 83.8888 | 407.437 |
[01] 11234052 | Brivanib | − 116.095 | − 83.869 | 370.378 |
[01] 25102847 | Cabozantinib | − 111.291 | − 81.7752 | 501.506 |