| 靶点蛋白 | 配体小分子 | 结合能(kcal/mol) |
| ledp | Cryptotanshinone | −5.8 |
| VEGFA | luteolin | −7.4 |
| AKT1 | luteolin | −6.1 |
| IL6 | luteolin | −7 |
| GJA1 | quercetin | −8.1 |
| TNF | sophocarpine | −8.4 |