Network pharmacology- and molecular docking-based exploration of the molecular mechanism underlying Jianpi Yiwei Recipe treatment of gastric cancer

Table 1 Information of “Traditional Chinese medicine-active ingredients-disease targets”

Serial number	Drug	Active ingredient		Target
1	Astragalus membranaceus	4	MOL000098: Quercetin	127	180
			MOL000354: Isorhamnetin	5
			MOL000392: Formononetin	9
			MOL000422: Kaempferol	39
2	Codonopsis pilosula	2	MOL000006: Luteolin	48	51
			MOL008400: Glycitein	3
3	Agrimonia eupatoria	5	MOL000006: Luteolin	48	230
			MOL000098: Quercetin	127
			MOL000422: Kaempferol	39
			MOL000492: (+)-Catechin	2
			MOL001002: Ellagic acid	14
4	Amomum villosum Lour.	1	MOL000358: Beta-sitosterol	10	10
5	Pericarpium citri reticulatae	2	MOL004328: Naringenin	30	43
			MOL005828: Nobiletin	13

Table 2 Docking of core active ingredients to key targets

Target	PDB ID	Binding energy to the target/(kJ/mol)
		Quercetin	Naringenin	Luteolin
AKT1	1UNQ	-3.20	-2.92	-2.94
TP53	1A1U	-3.95	-4.05	-3.86
TNF	7ATB	-2.95	-3.77	-3.32

TNF: Tumor necrosis factor.