Research Article
Mode of Action of Shan-Zhu-Yu (Cornus officinalis Sieb. et Zucc.) in the Treatment of Depression Based on Network Pharmacology
Table 3
Molecular docking results.
| Compound | Compound 2D structure | Target and PDB ID | Structure with initial ligand | Grid box size | Affinity (kcal/mol) |
| Telocinobufagin (CAS: 472-26-4) | | NR3C1 (1NHZ) | | 808080 | −9.43 | Bax (homology modeling) | | 909090 | −7.9 | Beta-sitosterol (CAS: 83-46-5) | | Bcl-2 (homology modeling) | | 707070 | −8.21 | Caspase-3 (1NMS) | | 909090 | −7.16 |
|
|