Exploring the Molecular Mechanism of Tong Xie Yao Fang in Treating Ulcerative Colitis Using Network Pharmacology and Molecular Docking

Table 2

Active ingredients of TXYF.

No.	Drug	Molecule ID	Ingredient name	OB	DL	Reference
1	Fangfeng	MOL011737	Divaricatacid	87.00	0.32	[32]
2	Fangfeng	MOL004793	Marmesine	84.77	0.18	[32]
3	Fangfeng	MOL000392	Formononetin	69.67	0.21
4	Fangfeng	MOL000011	(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-h][1,4]benzodioxin-9-one	68.83	0.66	[32]
5	Fangfeng	MOL005429	Hancinol	64.01	0.37	[33]
6	Fangfeng	MOL011732	Anomalin	59.65	0.66	[33]
7	Fangfeng	MOL004792	Nodakenin	57.12	0.69	[33]
8	Fangfeng	MOL001944	Marmesin	50.28	0.18	[33]
9	Fangfeng	MOL011730	11-hydroxy-sec-o-beta-d-glucosylhamaudol_qt	50.24	0.27	[32]
10	Fangfeng	MOL000417	Calycosin	47.75	0.24	[33]
11	Fangfeng	MOL002392	Deltoin	46.69	0.37	[32]
12	Fangfeng	MOL001942	Isoimperatorin	45.46	0.23	[34]
13	Fangfeng	MOL011749	Phelloptorin	43.39	0.28	[32]
14	Fangfeng	MOL001494	Mandenol	42.00	0.19	[34]
15	Fangfeng	MOL002644	Phellopterin	40.19	0.28	[34]
16	Fangfeng	MOL007514	Methyl icosa-11,14-dienoate	39.67	0.23	[34]
17	Fangfeng	MOL013077	Decursin	39.27	0.38	[34]
18	Fangfeng	MOL011753	5-O-methylvisamminol	37.99	0.25	[34]
19	Fangfeng	MOL000358	Beta-sitosterol	36.91	0.75	[32]
20	Fangfeng	MOL000359	Sitosterol	36.91	0.75	[32]
21	Fangfeng	MOL000358	Beta-sitosterol	36.91	0.75	[32]
22	Fangfeng	MOL003588	Prangenidin	36.31	0.22	[32]
23	Fangfeng	MOL001941	Ammidin	34.55	0.22	[32]
24	Fangfeng	MOL011747	Ledebouriellol	32.05	0.51	[32]
25	Fangfeng	MOL011740	Divaricatol	31.65	0.38	[34]
26	Fangfeng	MOL000173	Wogonin	30.68	0.23	[32]
27	Chenpi	MOL011737	Divaricatacid	87.00	0.32	[35]
28	Chenpi	MOL005815	Citromitin	86.90	0.51	[35]
29	Chenpi	MOL004793	Marmesine	84.77	0.18	[35]
30	Chenpi	MOL000392	Formononetin	69.67	0.21	[35]
31	Chenpi	MOL000011	(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[5,6-H][1,4]benzodioxin-9-one	68.83	0.66	[36]
32	Chenpi	MOL005429	Hancinol	64.01	0.37	[35]
33	Chenpi	MOL005828	Nobiletin	61.67	0.52	[35]
34	Chenpi	MOL011732	Anomalin	59.65	0.66	[37]
35	Chenpi	MOL004328	Naringenin	59.29	0.21	[35]
36	Chenpi	MOL004792	Nodakenin	57.12	0.69	[38]
37	Chenpi	MOL001924	Paeoniflorin	53.87	0.79	[38]
38	Chenpi	MOL001944	Marmesin	50.28	0.18	[37]
39	Chenpi	MOL011730	11-hydroxy-sec-O-beta-D-glucosylhamaudol_Qt	50.24	0.27	[36]
40	Chenpi	MOL000417	Calycosin	47.75	0.24	[38]
41	Chenpi	MOL005100	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one	47.74	0.27	[36]
42	Chenpi	MOL002392	Deltoin	46.69	0.37	[37]
43	Chenpi	MOL001942	Isoimperatorin	45.46	0.23	[35]
44	Chenpi	MOL011749	Phelloptorin	43.39	0.28	[37]
45	Chenpi	MOL001494	Mandenol	42.00	0.19	[35]
46	Chenpi	MOL002644	Phellopterin	40.19	0.28	[37]
47	Chenpi	MOL007514	Methyl icosa-11,14-dienoate	39.67	0.23	[38]
48	Chenpi	MOL013077	Decursin	39.27	0.38	[38]
49	Chenpi	MOL011753	5-O-methylvisamminol	37.99	0.25	[37]
50	Chenpi	MOL000359	Sitosterol	36.91	0.75	[35]
51	Chenpi	MOL000358	Beta-sitosterol	36.91	0.75	[35]
52	Chenpi	MOL000359	Sitosterol	36.91	0.75	[35]
53	Chenpi	MOL003588	Prangenidin	36.31	0.22	[37]
54	Chenpi	MOL001941	Ammidin	34.55	0.22	[37]
55	Chenpi	MOL011747	Ledebouriellol	32.05	0.51	[37]
56	Chenpi	MOL011740	Divaricatol	31.65	0.38	[37]
57	Chenpi	MOL000173	Wogonin	30.68	0.23	[37]
58	Baizhu	MOL009431	Stemonine	81.75	0.72	[39]
59	Baizhu	MOL000392	Formononetin	69.67	0.21	[39]
60	Baizhu	MOL000022	14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol	63.37	0.3	[40]
61	Baizhu	MOL000020	12-senecioyl-2E,8E,10E-atractylentriol	62.40	0.22	[40]
62	Baizhu	MOL000021	14-acetyl-12-senecioyl-2E,8E,10E-atractylentriol	60.31	0.31	[40]
63	Baizhu	MOL005360	Malkangunin	57.71	0.63	[39]
64	Baizhu	MOL005384	Suchilactone	57.52	0.56	[40]
65	Baizhu	MOL000049	3β-acetoxyatractylone	54.07	0.22	[40]
66	Baizhu	MOL009154	Tuberostemoenone	53.90	0.73	[40]
67	Baizhu	MOL009387	Didehydrotuberostemonine	51.91	0.74	[40]
68	Baizhu	MOL000028	α-Amyrin	39.51	0.76	[40]
69	Baizhu	MOL009436	Stemotinine	38.69	0.46	[40]
70	Baizhu	MOL000358	Beta-sitosterol	36.91	0.75	[40]
71	Baizhu	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	[41]
72	Baizhu	MOL000072	8β-ethoxy atractylenolide III	35.95	0.21	[40]
73	Baizhu	MOL009361	13,15-dideoxyaconitine	34.67	0.25	[41]
74	Baishao	MOL001918	Paeoniflorgenone	87.59	0.37	[42]
75	Baishao	MOL003958	Evodiamine	86.02	0.64	[42]
76	Baishao	MOL004793	Marmesine	84.77	0.18	[42]
77	Baishao	MOL001925	paeoniflorin_qt	68.18	0.4	[42]
78	Baishao	MOL001928	albiflorin_qt	66.64	0.33	[42]
79	Baishao	MOL007016	Paeoniflorigenone	65.33	0.37	[42]
80	Baishao	MOL001910	11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide	64.77	0.38	[42]
81	Baishao	MOL000785	Palmatine	64.60	0.65	[42]
82	Baishao	MOL005807	Sen-byakangelicol	58.00	0.61	[43]
83	Baishao	MOL004792	Nodakenin	57.12	0.69	[43]
84	Baishao	MOL000211	Mairin	55.38	0.78	[43]
85	Baishao	MOL000492	(+)-catechin	54.83	0.24	[42]
86	Baishao	MOL001924	Paeoniflorin	53.87	0.79	[42]
87	Baishao	MOL001924	Paeoniflorin	53.87	0.79	[43]
88	Baishao	MOL001944	Marmesin	50.28	0.18	[43]
89	Baishao	MOL000096	(−)-Catechin	49.68	0.24	[42]
90	Baishao	MOL001921	Lactiflorin	49.12	0.8	[42]
91	Baishao	MOL002710	Pyrethrin Ii	48.36	0.35
92	Baishao	MOL001942	Isoimperatorin	45.46	0.23	[42]
93	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	[44]
94	Baishao	MOL000422	Kaempferol	41.88	0.24	[42]
95	Baishao	MOL002662	Rutaecarpine	40.30	0.6	[43]
96	Baishao	MOL002644	Phellopterin	40.19	0.28	[42]
97	Baishao	MOL002464	1-Monolinolein	37.18	0.3	[44]
98	Baishao	MOL007061	Methylenetanshinquinone	37.07	0.36	[44]
99	Baishao	MOL000359	Sitosterol	36.91	0.75	[42]
100	Baishao	MOL000358	Beta-sitosterol	36.91	0.75	[42]
101	Baishao	MOL000359	Sitosterol	36.91	0.75	[42]
102	Baishao	MOL000358	Beta-sitosterol	36.91	0.75	[42]
103	Baishao	MOL001454	Berberine	36.86	0.78	[42]
104	Baishao	MOL006346	Itraconazole	36.67	0.33	[43]
105	Baishao	MOL005789	Neobyakangelico L	36.18	0.31	[43]
106	Baishao	MOL001939	Alloisoimperatorin	34.80	0.22	[42]
107	Baishao	MOL001930	Benzoyl paeoniflorin	31.27	0.75	[42]
108	Baishao	MOL007025	Isobenzoylpaeoniflorin	31.14	0.54	[42]