Research Article
Study on the Mechanism of Acori Graminei Rhizoma in the Treatment of Alzheimer’s Disease Based on Network Pharmacology and Molecular Docking
Table 3
Results of molecular docking of key targets and their corresponding compounds.
| Serial number | Core target | Compound | LeDock score |
| 1 | APP | α-Asarone | -11.83 kJ/mol | 2 | β-Asarone | -11.58 kJ/mol | 3 | 2-O-Methylisoliquiritigenin | 15.72 kJ/mol | 4 | CASP3 | α-Asarone | -14.00 kJ/mol | 5 | β-Asarone | -14.04 kJ/mol | 6 | 2-O-Methylisoliquiritigenin | -24.45 kJ/mol | 7 | MAPK1 | α-Asarone | -14.63 kJ/mol | 8 | β-Asarone | -15.05 kJ/mol | 9 | 2-O-Methylisoliquiritigenin | -23.12 kJ/mol | 10 | MAPT | α-Asarone | -14.55 kJ/mol | 11 | β-Asarone | -14.63 kJ/mol | 12 | 2-O-Methylisoliquiritigenin | -23.24 kJ/mol | 13 | VEGFA | α-Asarone | -14.80 kJ/mol | 14 | β-Asarone | -14.80 kJ/mol | 15 | 2-O-Methylisoliquiritigenin | -19.31 kJ/mol | 16 | ACHE | α-Asarone | -15.51 kJ/mol | 17 | β-Asarone | -15.59 kJ/mol | 18 | 2-O-Methylisoliquiritigenin | -24.70 kJ/mol | 19 | GSK3B | α-Asarone | -13.54 kJ/mol | 20 | β-Asarone | -13.60 kJ/mol | 21 | 2-O-Methylisoliquiritigenin | -22.74 kJ/mol | 22 | ESR1 | α-Asarone | -15.35 kJ/mol | 23 | β-Asarone | -15.38 kJ/mol | 24 | 2-O-Methylisoliquiritigenin | -23.49 kJ/mol | 25 | DRD2 | α-Asarone | -14.84 kJ/mol | 26 | β-Asarone | -15.17 kJ/mol | 27 | 2-O-Methylisoliquiritigenin | -21.57 kJ/mol |
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