Table 3.
The binding energy of top 5 compounds of HF-NR with VD-related core targets.
| Molecule name | CID | Core gene docking score (kcal/mol) | |||||
|---|---|---|---|---|---|---|---|
| IL6 | VEGFA | CASP3 | MAPK8 | EGFR | |||
| Core components | Quercetin | 5280343 | −4.39 | −5.73 | −4.04 | −3.74 | −3.32 |
| Kaempferol | 5280863 | −5.45 | −6.27 | −4.00 | −4.82 | −4.58 | |
| Luteolin | 5280445 | −5.11 | −5.63 | −4.58 | −5.29 | −4.83 | |
| Anhydroicaritin | 14583584 | −4.71 | −4.56 | −3.58 | −4.35 | −4.03 | |
| β-Sitosterol | 521199 | −5.15 | −5.94 | −5.39 | −3.32 | −5.15 | |
CASP3 = caspase 3, EGFR = epidermal growth factor receptor, HF-NR = Epimedii Folium and Notoginseng Radix, IL-6 = interleukin 6, MAPK8 = mitogen-activated protein kinase 8, VEGF-A = vascular endothelial growth factor-A, VD = vascular dementia.