Research Article
Systematic Understanding of Mechanism of Danggui Shaoyao San against Ischemic Stroke Using a Network Pharmacology Approach
Table 5
Binding energy between the key ingredients and target proteins.
| NO. | Receptor protein | Molecule ID | Ligand component | Binding energy (kcal·mol-1) |
| 1 | MAPK1 | MOL000020 | 12-Senecioyl-2E, 8E, 10E-atractylentriol | −5.99 | 2 | MAPK1 | MOL000287 | Eburicoic acid | −8.64 | 3 | MAPK1 | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-Dihydroxy-30-nor-olean-20-en-28,12beta-olide | −9.32 | 4 | PIK3R1 | MOL000020 | 12-Senecioyl-2E, 8E, 10E-atractylentriol | −6.66 | 5 | PIK3R1 | MOL000287 | Eburicoic acid | −9.24 | 6 | PIK3R1 | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-Dihydroxy-30-nor-olean-20-en-28,12beta-olide | −10.18 | 7 | SRC | MOL000020 | 12-Senecioyl-2E, 8E, 10E-atractylentriol | −7.57 | 8 | SRC | MOL000287 | Eburicoic acid | −9.42 | 9 | SRC | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-Dihydroxy-30-nor-olean-20-en-28,12beta-olide | −9 |
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