Table 2.
Details of molecular docking.
| Compound | PubChem ID | Target | PDB ID | Binding Energy (kcal/mol) |
|---|---|---|---|---|
| Kanzonol F | 101666840 | NOS3 | 1M9J | −9.9 |
| 25-Hydroxy-3-epidehydrotumulosic acid | 10368709 | ACE | 1O86 | −9.8 |
| Colubrinic acid | 21672700 | ACE | 1O86 | −9.2 |
| Chrysophanol | 10208 | ACE | 1O86 | −9 |
| Lysicamine | 122691 | ACE | 1O86 | −8.3 |
| Fumarine | 4970 | SIRT1 | 4IG9 | −7.9 |
| Hederagenin | 73299 | IL-6 | 1ALU | −7.6 |
| Machaerinic acid lactone | 21594250 | VCAM-1 | 1IJ9 | −7.6 |
| JL1 | 725031 | ACE | 1O86 | −7.2 |
| Jujubogenin | 15515703 | KCNH2 | 1BYW | −6.9 |
The Binding energy refers to the strength of the binding between the receptor and the ligand, the lower the binding energy, the more stable the docking module.