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