Table 2.
Docking scores of the top 20 compounds in virtual screening.
| No. | Name/CAS | Docking score | No. | Name/CAS | Docking score |
|---|---|---|---|---|---|
| 1 | Salvianolic acid B 115939-25-8 | −9.168 | 11 | Salvianolic Acid C 115841-09-3 | −7.456 |
| 2 | 9”‘-MethyllithosperMate B 1167424-32-9 | −8.974 | 12 | Scutellarin 27740-01-8 | −7.418 |
| 3 | Safflower-yellow 36338-96-2 | −8.530 | 13 | Docetaxel 114977-28-5 | −7.384 |
| 4 | Lithospermate B 122021-74-3 | −8.126 | 14 | Procyanidin B2 29106-49-8 | −7.363 |
| 5 | lithospermic acid B 121521-90-2 | −7.907 | 15 | Parishin A 62499-28-9 | −7.330 |
| 6 | Glutathione 70-18-8 | −7.838 | 16 | 2′-acetylacteoside 94492-24-7 | −7.318 |
| 7 | Gallic acid 149-91-7 | −7.781 | 17 | Kaempferol 3-gentiobioside 22149-35-5 | −7.307 |
| 8 | 1,2,3,4,6-O-Pentagalloylglucose 14937-32-7 | −7.552 | 18 | Carboxyatractyloside tripotassium salt 77228-71-8 | −7.216 |
| 9 | Secoisolariciresinol diglucoside 148244-82-0 | −7.547 | 19 | lithospermic acid 28831-65-4 | −7.188 |
| 10 | Hydroxysafflor yellow A 78281-02-4 | −7.502 | 20 | Nuezhenide 39011-92-2 | −7.180 |