Systems Pharmacology and In Silico Docking Analysis Uncover Association of CA2, PPARG, RXRA, and VDR with the Mechanisms Underlying the Shi Zhen Tea Formula Effect on Eczema

Table 1

Basic information of active compounds from SZT. F, A, P, T, S, and O stand for flavonoid, alkaloid, phenylpropanoid, terpene, steroid, and others, respectively.

Herb	Comp. ID	Comp. name	Mol. Wt.	O.B.	D.L.	Structure	Sp.
Kushen	K1	kushenolJ_qt	286.3	50.86	0.24		F
Kushen	K2	Norkurarinol	442.55	51.28	0.64		F
Kushen	K3	KushenolJ	580.59	51.39	0.74		F
Kushen	K4	(+)-Lupanine	248.41	52.71	0.24		A
Kushen	K5	Norartocarpetin	286.25	54.93	0.24		F
Kushen	K6	Sophranol	264.41	55.42	0.28		A
Kushen	K7	(+)-Lehmannine	246.39	58.34	0.25		A
Kushen	K8	(+)-Allomatrine	248.41	58.87	0.25		A
Kushen	K9	Sophoridine	248.41	60.07	0.25		A
Kushen	K10	Leachianone,g	356.4	60.97	0.4		F
Kushen	K11	Isosophocarpine	246.39	61.57	0.25		A
Kushen	K12	Anagyrine	244.37	62.01	0.24		A
Kushen	K13	Leontalbinine	246.39	62.08	0.25		A
Kushen	K14	Lehmanine	246.39	62.23	0.25		A
Kushen	K15	Matrine	248.41	63.77	0.25		A
Kushen	K16	Sophocarpine	246.39	64.26	0.25		A
Kushen	K17	13,14-Dehydrosophoridine	246.39	65.34	0.25		A
Kushen	K18	Inermin	284.28	65.83	0.54		P
Kushen	K19	cis-Dihydroquercetin	304.27	66.44	0.27		F
Kushen	K20	Isomatrine	248.41	68.68	0.25		A
Kushen	K21	Formononetin	268.28	69.67	0.21		F
Kushen	K22	K22	256.27	71.12	0.18		F
Kushen	K23	Inermine	284.28	75.18	0.54		P
Kushen	K24	Phaseolin	322.38	78.2	0.73		P
Kushen	K25	Glyceollin	338.38	97.27	0.76		P
Jingjie	J1	Luteolin	286.25	36.16	0.25		F
Jingjie	J2	Quercetin	302.25	46.43	0.28		F
Jingjie	J3	beta-Sitosterol	414.79	36.91	0.75		S
Jingjie	J4	Sitosterol	414.79	36.91	0.75		S
Jingjie	J5	Stigmasterol	412.77	43.83	0.76		S
Jingjie	J6	Supraene	410.8	33.55	0.42		T
Jingjie	J7	Diosmetin	300.28	31.14	0.27		F
Jingjie	J8	Campest-5-en-3-beta-ol	400.76	37.58	0.71		S
Jingjie	J9	J9	302.3	47.74	0.27		F
Jingjie	J10	Schizonepetoside B	330.42	31.02	0.28		T
Jingjie	J11	Schkuhrin I	420.5	54.45	0.52		O
Niubangzi	N1	Neoarctin A	742.88	39.99	0.27		P
Niubangzi	N2	Arctiin	534.61	34.45	0.84		P
Niubangzi	N3	beta-Sitosterol	414.79	36.91	0.75		S
Niubangzi	N4	Kaempferol	286.25	41.88	0.24		F
Niubangzi	N5	Supraene	410.8	33.55	0.42		T
Niubangzi	N6	beta-Carotene	536.96	37.18	0.58		T
Niubangzi	N7	N7	386.48	52.3	0.48		P
Niubangzi	N8	Cynarin(e)	516.49	31.76	0.68		P
Baizhu	B1	B1	276.41	35.95	0.21		T
Baizhu	B2	B2	428.82	36.23	0.78		S
Baizhu	B3	α-Amyrin	426.8	39.51	0.76		T
Baizhu	B4	3β-Acetoxyatractylone	274.39	54.07	0.22		T
Baizhu	B5	B5	355.44	60.31	0.31		O
Baizhu	B6	B6	312.39	62.4	0.22		O
Baizhu	B7	B7	356.45	63.37	0.3		O

K22: (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; J9: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one; N7: (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one; B1: 8β-ethoxy atractylenolide III; B2: (24S)-24-propylcholesta-5-ene-3beta-ol; B5: 14-acetyl-12-senecioyl-2E,8E,10E-atractylentriol; B6: 12-senecioyl-2E,8E,10E-atractylentriol; B7: 14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol.