Table 2.
Docking scores determined using SystemsDock for the binding interactions between Asperosaponin VI (ASA VI), its endogenous ligands, and the predicted target proteins.
| No. | Target protein name | Endogenous ligand docking score | ASA VI docking score | Signal pathways of the target protein |
|---|---|---|---|---|
| 1 | MAP3K3 | 3.88 | 8.342 | MAPK signaling pathway Neurotrophin signaling pathway |
| 2 | ESR2 | 5.01 | 8.134 | Oestrogen signaling pathway |
| 3 | IGF1R | 4.09 | 8.092 | MAPK signaling pathway AMPK signaling pathway FoxO signaling pathway PI3K-AKT signaling pathway |
| 4 | RAC1 | 4.1 | 8.006 | Neurotrophin signaling pathway PI3K-AKT signaling pathway Chemokine signaling pathway Sphingolipid signaling pathway |
| 5 | PTPRE | 5.01 | 7.997 | Insulin signaling pathway |
| 6 | CAMK4 | 4.25 | 7.934 | Neurotrophin signaling pathway |
| 7 | KDR | 5.86 | 7.905 | MAPK signaling pathway PI3K-AKT signaling pathway |
| 8 | MMP14 | 7.59 | 7.839 | GnRH signaling pathway |
| 9 | LYN | 3.62 | 7.835 | Chemokine signaling pathway |
| 10 | HCK | 4.5 | 6.464 | Chemokine signaling pathway |
| 11 | ERBB4 | 4.64 | 5.06 | MAPK signaling pathway PI3K-AKT signaling pathway |
| 12 | MMP2 | 4.83 | 4.881 | Oestrogen signaling pathway |
| 13 | THBS1 | 5.25 | 4.639 | PI3K-AKT signaling pathway |
| 14 | THRB | 6.12 | 4.387 | Thyroid signaling pathway |
| 15 | HBEGF | 4.67 | 4.139 | Neurotrophin signaling pathway |
ASA VI = Asperosaponin VI, CAMK4 = calcium-dependent protein kinase IV, ERBB4 = epidermal growth factor receptor, ESR2 = estrogen receptor 2, GnRH = , HBEGF = proheparin-binding EGF-like growth factor, HCK = HCK proto-oncogene, IGF1R = insulin like growth factor 1 receptor, KDR = kinase insert domain receptor, LYN = tyrosine-protein kinase Lyn, MAP3K3 = mitogen-activated protein kinase 3, MMP2 = matrix metalloproteinases-2, MMP14 = matrix metalloproteinases-14, PTPRE = protein-tyrosine phosphatase epsilon, RAC1 = Ras-related C3 botulinum toxin substrate 1, THBS1 = thrombospondin 1, THRB = thyroid hormone receptor beta.