Table 5 Virtual docking of five vital active compounds from YCHD for cholangiocarcinoma targets
| Compound | Structure | Binding affinity/ (kcal/mol) | ||||
|---|---|---|---|---|---|---|
| AKT1 | IL6 | MAPK1 | TP53 | VEGFA | ||
| Quercetin |
| − 7.8 | − 8.1 | − 7.4 | − 7.7 | − 7.1 |
| Kaempferol |
| − 7.6 | − 8.0 | − 7.4 | − 7.5 | − 6.9 |
| Beta-sitosterol |
| − 8.7 | − 7.0 | − 6.9 | − 7.1 | − 6.5 |
| Isorhamnetin |
| − 7.7 | − 8.0 | − 7.2 | − 7.7 | − 7.6 |
| Stigmasterol |
| − 7.9 | − 7.0 | − 6.7 | − 7.7 | − 6.6 |