Table 5.
Comparison of docking scores between ginsenosides and native ligands docked to thrombin and Aurora kinase A target proteins
| Target name | PDB ID | Native ligand1) docking score | Ginsenoside |
|
|---|---|---|---|---|
| Type | Docking score | |||
| Serine protease thrombin | 1ETR | −6.202 | Rg1 | −9.055 |
| 1ETT | −8.384 | Rg1 | −9.566 | |
| Serine proteinase alpha-thrombin | 1A4W | −7.177 | La | −8.802 |
| Rb2 | −8.321 | |||
| F5 | −8.153 | |||
| 1AE8 | −6.427 | Rg1 | −8.902 | |
| 1DWC | −6.613 | CK | −8.409 | |
| Rb1 | −8.329 | |||
| Rh3 | −8.329 | |||
| Re | −8.311 | |||
| R2 | −8.254 | |||
| 4THN | −7.264 | A1 | −8.131 | |
| Aurora kinase A | 1OL5 | −7.979 | A1 | −9.014 |
| F3 | −8.48 | |||
| Rg2 | −8.13 | |||
| 1OL6 | −8.342 | Re | −9.211 | |
| 2W1C | −7.005 | R2 | −8.559 | |
| 2W5B | −8.03 | Ro | −8.235 | |
| 2XRU | −7.778 | Rg5 | −8.168 | |
1)
PDB and cocrystal ligand redocking scores