Deciphering the Molecular Targets and Mechanisms of HGWD in the Treatment of Rheumatoid Arthritis via Network Pharmacology and Molecular Docking

Table 1

Basic information of the active compounds in the HGWD formula.

Molecule ID	Name	OB	DL	Source
MOL000211	Mairin	55.38	0.78	Huangqi, Baishao, Dazao
MOL000239	Jaranol	50.83	0.29	Huangqi
MOL000296	Hederagenin	36.91	0.75	Huangqi
MOL000033	(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	36.23	0.78	Huangqi
MOL000354	Isorhamnetin	49.6	0.31	Huangqi
MOL000371	3,9-Di-O-methylnissolin	53.74	0.48	Huangqi
MOL000374	5′-Hydroxyiso-muronulatol-2′,5′-di-O-glucoside	41.72	0.69	Huangqi
MOL000378	7-O-Methylisomucronulatol	74.69	0.3	Huangqi
MOL000379	9,10-Dimethoxypterocarpan-3-O-β-D-glucoside	36.74	0.92	Huangqi
MOL000380	(6aR,11aR)-9,10-Dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-3-ol	64.26	0.42	Huangqi
MOL000387	Bifendate	31.1	0.67	Huangqi
MOL000392	Formononetin	69.67	0.21	Huangqi
MOL000398	Isoflavanone	109.99	0.3	Huangqi
MOL000417	Calycosin	47.75	0.24	Huangqi
MOL000422	Kaempferol	41.88	0.24	Huangqi, Baishao
MOL000433	FA	68.96	0.71	Huangqi
MOL000438	(3R)-3-(2-Hydroxy-3,4-dimethoxyphenyl)chroman-7-ol	67.67	0.26	Huangqi
MOL000439	Isomucronulatol-7,2′-di-O-glucosiole	49.28	0.62	Huangqi
MOL000442	1,7-Dihydroxy-3,9-dimethoxy pterocarpene	39.05	0.48	Huangqi
MOL000098	Quercetin	46.43	0.28	Huangqi, Dazao
MOL001736	(-)-Taxifolin	60.51	0.27	Guizhi
MOL000358	Beta-sitosterol	36.91	0.75	Guizhi、Baishao、Shengjiang、Dazao
MOL000359	Sitosterol	36.91	0.75	Guizhi, Baishao
MOL000492	(+)-Catechin	54.83	0.24	Guizhi, Baishao, Dazao
MOL000073	ent-Epicatechin	48.96	0.24	Guizhi
MOL004576	Taxifolin	57.84	0.27	Guizhi
MOL011169	Peroxyergosterol	44.39	0.82	Guizhi
MOL001928	Albiflorin_qt	66.64	0.33	Baishao
MOL001918	Paeoniflorgenone	87.59	0.37	Baishao
MOL001910	11alpha,12alpha-Epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide	64.77	0.38	Baishao
MOL001925	Paeoniflorin_qt	68.18	0.4	Baishao
MOL001919	(3S,5R,8R,9R,10S,14S)-3,17-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione	43.56	0.53	Baishao
MOL001930	Benzoyl paeoniflorin	31.27	0.75	Baishao
MOL001924	Paeoniflorin	53.87	0.79	Baishao
MOL001921	Lactiflorin	49.12	0.8	Baishao
MOL006129	6-Methylgingediacetate2	48.73	0.32	Shengjiang
MOL000449	Stigmasterol	43.83	0.76	Shengjiang, Dazao
MOL001771	Poriferast-5-en-3beta-ol	36.91	0.75	Shengjiang
MOL008698	Dihydrocapsaicin	47.07	0.19	Shengjiang
MOL012921	Stepharine	31.55	0.33	Dazao
MOL012940	Spiradine A	113.52	0.61	Dazao
MOL012946	Zizyphus saponin I_qt	32.69	0.62	Dazao
MOL012961	Jujuboside A_qt	36.67	0.62	Dazao
MOL012976	Coumestrol	32.49	0.34	Dazao
MOL012980	Daechuine S6	46.48	0.79	Dazao
MOL012981	Daechuine S7	44.82	0.83	Dazao
MOL012986	Jujubasaponin V_qt	36.99	0.63	Dazao
MOL012989	Jujuboside C_qt	40.26	0.62	Dazao
MOL012992	Mauritine D	89.13	0.45	Dazao
MOL001454	Berberine	36.86	0.78	Dazao
MOL001522	(S)-Coclaurine	42.35	0.24	Dazao
MOL003410	Ziziphin_qt	66.95	0.62	Dazao
MOL004350	Ruvoside_qt	36.12	0.76	Dazao
MOL005360	Malkangunin	57.71	0.63	Dazao
MOL000627	Stepholidine	33.11	0.54	Dazao
MOL007213	Nuciferin	34.43	0.4	Dazao
MOL000783	Protoporphyrin	30.86	0.56	Dazao
MOL000787	Fumarine	59.26	0.83	Dazao
MOL008034	21302-79-4	73.52	0.77	Dazao
MOL008647	Moupinamide	86.71	0.26	Dazao
MOL002773	Beta-carotene	37.18	0.58	Dazao
MOL000096	(-)-Catechin	49.68	0.24	Dazao
MOL013357	(3S,6R,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol	34.37	0.78	Dazao

Note. OB, oral bioavailability; DL, drug-likeness.