Exploration of the drug use pattern of traditional Chinese medicine in the treatment of pulmonary tuberculosis and its core drug action mechanism

doi:10.19982/j.issn.1000-6621.20210433

Abstract

Abstract:

Objective: Based on data mining, we explored the drug use pattern of traditional Chinese medicine for pulmonary tuberculosis (PTB), mined out its common drug pairs, and explored the mechanism of action of core drugs on PTB using network pharmacology. Methods: A database was established for the Chinese herbal compounds meeting the inclusion criteria; association model was established using the Apriori algorithm; the active ingredients and targets of the core drug pairs were screened within the TCMSP database, while the PTB disease targets were retrieved by searching the Gene Cards database to analyze the drug-disease common targets, then the targets were entered into the String database to obtain the protein interaction network. DAVID database was used for GO and KEGG pathway enrichment analysis, and Cytoscape software was used to visualize the component-target-signaling pathway. Results: One hundred and fifty-six documents were screened, involving 272 Chinese herbal medicines. The top 5 herbs were Stemonae Radix (n=113), Ophiopogonis Radix (n=104), Astragali Radix (n=89), Bletillae Rhizoma (n=86) and Rehmanniae Radix (n=83). Association analysis showed that Bletillae Rhizoma and Stemonae Radix had the highest association (support=71.81%, confidence=80.99%, lifting ratio=1.28). With network pharmacological analysis for Bletillae Rhizoma and Stemonae Radix, the major effects exerted by them might be related with cancer, hepatitis B, tuberculosis, apoptosis, MAPK, TNF (all Ps<0.01). Conclusion: Data mining showed that Bletillae Rhizoma and Stemonae Radix were the core therapeutic drug pair for treating PTB. Network pharmacological analysis revealed primary mechanism of action for those core drugs on PTB, and provided ideas for new clinical drug combinations and new drug development.

Key words: Tuberculosis,pulmonary, Drugs,Chinese herbal, Data mining, Molecular mechanisms of pharmacological action

CLC Number:

R52
R285

LIU Yuan, CHEN Jie, SUN Hui, LIU Xing, LIU Meng-xing, LI Chi-chuan, YANG Bai-rong, YANG Min. Exploration of the drug use pattern of traditional Chinese medicine in the treatment of pulmonary tuberculosis and its core drug action mechanism[J]. Chinese Journal of Antituberculosis, 2022, 44(2): 131-140. doi: 10.19982/j.issn.1000-6621.20210433

Figures/Tables 10

分子ID		分子名	口服生物利用度(%)	类药性			来源中药
MOL005755		1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol	54.18	0.55			白及
MOL005756		2,3,4,7-tetramethoxyphenanthrene	39.09	0.29			白及
MOL005759		2,7-dihydroxy-4-methoxyphenanthrene-2,7-O-diglucoside	30.22	0.74			白及
MOL005761		3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene	37.98	0.55			白及
MOL005766		3,7-dihydroxy-2,4-dimethoxyphenanthrene-3-O-glucoside	31.46	0.78			白及
MOL005768		4,7-dihydroxy-1-p-hydroxybenzyl-2-methoxy-9,10-dihydrophenanthrene	30.54	0.55			白及
MOL005770		bletlolA	54.43	0.55			白及
MOL005773		blespirol	43.74	0.86			白及
MOL005776		1-(2,7-dihydroxy-4-methoxy-1-phenanthryl)-4-methoxyphenanthrene-2,7-diol	35.22	0.67			白及
MOL001558		sesamin	56.55	0.83			百部
MOL000358		beta-sitosterol	36.91	0.75			百部
MOL000359		sitosterol	36.91	0.75			百部
MOL000392		formononetin	69.67	0.21			百部
MOL000449		stigmasterol	43.83	0.76			百部
MOL005360		malkangunin	57.71	0.63			百部
分子ID		分子名	口服生物利用度(%)	类药性			来源中药
MOL005384		suchilactone	57.52	0.56			百部
MOL009361		13,15-dideoxyaconitine	34.67	0.25			百部
MOL009363		tuberostemonineC	55.34	0.74			百部
MOL009374		7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene	59.00	0.21			百部
MOL009377		bisdehydroneotuberostemonine	51.14	0.74			百部
MOL009379		2-oxostenine	72.94	0.34			百部
MOL009380		bisdehydrostemoninine	38.51	0.73			百部
MOL009381		bisdehydrostemoninineA	62.64	0.68			百部
MOL009382		bisdehydrostemoninineB	46.05	0.64			百部
MOL009386		3,3'-bis-(3,4-dihydro-4-hydroxy-6-methoxy)-2H-1-benzopyran	52.11	0.54			百部
MOL009387		didehydrotuberostemonine	51.91	0.74			百部
MOL009388		dihydrostemoninine	68.01	0.72			百部
MOL009394		stemonamine	45.19	0.35			百部
MOL009409		oxystemoninine	42.79	0.77			百部
MOL009411		protostemotinine	45.99	0.75			百部
MOL009414		sessilifoliamideC	65.87	0.20			百部
MOL009419		sessilifoliamideH	43.68	0.68			百部
MOL009422		sessilifolineB	58.81	0.29			百部
MOL009423		sessilistemonamineA	40.28	0.73			百部
MOL009424		sessilistemonamineB	40.64	0.73			百部
MOL009430		stemonamide	67.46	0.38			百部
MOL009431		stemonine	81.75	0.72			百部
MOL009433		stemoninineB	74.77	0.73			百部
MOL009434		stemoninoamide	66.70	0.33			百部
MOL009436		stemotinine	38.69	0.46			百部
MOL009441	(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one				85.52	0.38		百部

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排序	药名	频数	率(%)	排序	药名	频数	率(%)
1	百部	113	4.25	16	当归	44	1.66
2	麦冬	104	3.91	17	桔梗	44	1.66
3	黄芪	89	3.35	18	醋鳖甲	41	1.54
4	白及	86	3.24	19	天冬	41	1.54
5	地黄	83	3.12	20	牡蛎	39	1.47
6	川贝母	79	2.97	21	白芍	36	1.35
7	北沙参	75	2.82	22	地骨皮	36	1.35
8	甘草	73	2.75	23	黄芩	36	1.35
9	百合	66	2.48	24	党参	33	1.24
10	茯苓	61	2.30	25	玄参	32	1.20
11	五味子	52	1.96	26	陈皮	30	1.13
12	熟地黄	50	1.88	27	醋龟甲	29	1.09
13	山药	49	1.84	28	黄精	27	1.02
14	阿胶	45	1.69	29	丹参	26	0.98
15	白术	45	1.69	30	知母	25	0.94

排序	后项	前项	支持度(%)	置信度(%)	提升比
1	白及	百部	71.81	80.99	1.28
2	地黄	麦冬	68.55	84.42	1.34
3	百部	麦冬	68.55	83.55	1.16
4	百部	黄芪	64.69	83.49	1.16
5	麦冬	黄芪	64.69	81.19	1.18
6	百部	白及	63.21	92.02	1.28
7	麦冬	白及	63.20	84.04	1.23
8	北沙参	白及	63.21	83.10	1.37
9	川贝母	白及	63.20	80.75	1.32
10	麦冬	地黄	62.91	91.98	1.34
11	百部	地黄	62.91	84.91	1.18
12	川贝母	地黄	62.91	83.49	1.37
13	北沙参	地黄	62.91	80.19	1.32
14	麦冬	川贝母	61.13	89.32	1.30
15	百部	川贝母	61.13	88.83	1.24
16	地黄	川贝母	61.13	85.92	1.37
17	北沙参	川贝母	61.13	84.95	1.40
18	白及	川贝母	61.13	83.49	1.32
19	百部	北沙参	60.53	92.16	1.28
20	麦冬	北沙参	60.53	89.71	1.31