Table 1.
The structure characteristics and docking results of compounds by LibDock.
| Name | Formula | Structure | LibDock Score (kcal/mol) |
|---|---|---|---|
| (−)-Epigallocatechin Gallate | C22H18O11 |
|
149.101 |
| Chicoric acid | C22H18O12 |
|
141.294 |
| Salvianolic acid A | C26H22O10 |
|
136.768 |
| Cynaroside | C21H20O11 |
|
135.057 |
| Silibinin | C25H22O10 |
|
130.541 |
| Calceolarioside B | C23H26O11 |
|
130.154 |
| Lithospermic acid | C27H22O12 |
|
128.397 |
| Isochlorogenic acid C | C25H24O12 |
|
120.536 |
| Vitexin | C21H20O10 |
|
106.891 |
| Idelalisib | C22H18FN7O |
|
106.844 |