Network Pharmacology and Molecular Docking-Based Prediction of the Mechanism of Qianghuo Shengshi Decoction against Rheumatoid Arthritis

Table 3

Results of 18 hub targets and related compounds of molecular docking.

No.	Targets	PDB ID	Compound	Binding affinity (kcal/mol)
1	IL6	4O9H	Quercetin	−6.4
			Luteolin	−6.4
			Wogonin	−6.4
2	TP53	3DCY	Quercetin	−7.2
			Luteolin	−7.5
			Wogonin	−7.7
3	VEGFA	5DN2	Quercetin	−8.1
			Luteolin	−8.1
4	JUN	1JUN	Quercetin	−4.8
			Kaempferol	−4.9
			Luteolin	−5.0
			Wogonin	−5.0
5	TNF	1TNF	Quercetin	−4.9
			Kaempferol	−5.3
			Luteolin	−5.4
			Wogonin	−5.3
6	MAPK1	6RSM	Quercetin	−8.3
			Luteolin	−8.5
			Naringenin	−8.2
7	MAPK8	4YR8	Kaempferol	−8.6
8	EGF	2KV4	Quercetin	−6.7
9	PTGS2	5F19	Quercetin	−9.4
			Kaempferol	−8.9
			Luteolin	−9.8
			Wogonin	−9.0
			Isorhamnetin	−8.8
			Hesperetin	−10.2
			Glepidotin B	−9.3
			Naringenin	−9.3
10	MAPK3	2ZOQ	Naringenin	−8.7
11	EGFR	4R3P	Quercetin	−7.3
			Luteolin	−7.5
12	ESR1	4XI3	Wogonin	−7.2
			Isorhamnetin	−7.6
			Hesperetin	−7.5
			Glepidotin B	−6.8
			Naringenin	−8.0
13	IL1B	5BVP	Quercetin	−5.7
14	CAT	1DGH	Naringenin	−7.9
15	CCL2	4ZK9	Quercetin	−7.7
			Wogonin	−6.9
16	MAPK14	3MGY	Wogonin	−7.6
			Isorhamnetin	−8.0
			Hesperetin	−8.2
17	MMP2	1EAK	Quercetin	−7.2
			Luteolin	−7.6
18	NOS3	1M9Q	Quercetin	−9.4
			Kaempferol	−8.5
			Isorhamnetin	−8.5
			Glepidotin B	−8.4