Mechanism of traditional Chinese medicine “Qinbudan” in the treatment of pulmonary tuberculosis based on network pharmacology

doi:10.19982/j.issn.1000-6621.20210572

Abstract

Abstract:

Objective: To explore the mechanism of “Qinbudan” in the treatment of pulmonary tuberculosis using the network pharmacology method. Methods: The effective components and potential targets of Radix Scutellariae, Radix Stemonae radix and Radix salvia were retrieved through TCMSP database. GeneCards, OMIM, TTD, and DrugBank databases were used to obtain targets of pulmonary tuberculosis. The gene name of those targets was standardized based on Unipront, and the protein interaction network of “Qinbudan” in treating pulmonary tuberculosis was generated based on STRING 11.0. The DAVID 6.8 platform was used for functional enrichment and pathway analysis. Cytoscape 3.7.1 software was used to analyze and construct the network of components, targets and pathways of “Qinbudan” in treating pulmonary tuberculosis. Results: Finally, 116 effective chemical components and 199 targets of “Qinbudan” were screened out. The core effective components of “Qinbudan” in treating pulmonary tuberculosis included luteolin, wogonin, baicalein, acacetin, formononetin, β-sitosterol and 7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene. And 82 potential targets were involved, and the key targets were TP53, IL6, AKT1, VEGFA, EGFR, PTGS2, JUNP3, STAT3, TNF. A total of 373 biological process terms, 66 molecular function terms and 39 cell composition terms were found by GO enrichment analysis; 108 pathways were found by KEGG pathway analysis, TNF signaling pathway (P<0.001) and apoptosis (P<0.001) were the major pathways, T cell receptor signaling pathway (P<0.001), PI3K-Akt signaling pathway (P<0.001) and tuberculosis (P<0.001) were also included. Conclusion: Multi-component, multi-target and multi-pathway of the mechanism of “Qinbudan” in treating pulmonary tuberculosis were explored based on network pharmacology, which provided some theoretical support for later clinical and basic researches.

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

CLC Number:

R52
R285

ZHUANG Li, MA Zi-feng, JIANG Yu-wei, HUANG Xing, ZHANG Hui-yong, LU Zhen-hui, WU Xian-wei. Mechanism of traditional Chinese medicine “Qinbudan” in the treatment of pulmonary tuberculosis based on network pharmacology[J]. Chinese Journal of Antituberculosis, 2022, 44(3): 273-283. doi: 10.19982/j.issn.1000-6621.20210572

Figures/Tables 10

药物	MOL编号	标识	活性成分	药物	MOL编号	标识	活性成分
黄芩	MOL001689	HQ1	acacetin	黄芩+	MOL000358	A1	β-sitosterol
	MOL000173	HQ2	wogonin	百部	MOL000359	A2	sitosterol
	MOL000228	HQ3	(2R)-7-hydroxy-5-methoxy-2-phe- nylchroman-4-one		MOL000449	A3	stigmasterol
	MOL000228	HQ3	(2R)-7-hydroxy-5-methoxy-2-phe- nylchroman-4-one	百部	MOL001558	BB1	sesamin
	MOL002714	HQ4	Baicalein	百部	MOL001558	BB1	sesamin
	MOL002714	HQ4	Baicalein		MOL000392	BB2	formononetin
	MOL002909	HQ5	5,7,2,5-tetrahydroxy-8,6-dime- thoxyflavone		MOL000392	BB2	formononetin
					MOL005384	BB3	suchilactone
					MOL009363	BB4	tuberostemonine C
	MOL002910	HQ6	carthamidin		MOL009363	BB4	tuberostemonine C
	MOL002910	HQ6	carthamidin		MOL009374	BB5	7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene
	MOL002913	HQ7	dihydrobaicalin_qt		MOL009374	BB5	7-methoxy-3-methyl-2,5-dihydroxy-9,10-dihydrophenanthrene
	MOL002914	HQ8	eriodyctiol(flavanone)		MOL009377	BB6	bisdehydroneotuberostemonine
	MOL002915	HQ9	salvigenin		MOL009379	BB7	2-oxostenine
	MOL002917	HQ10	5,2',6'-Trihydroxy-7,8-dimethox- yflavone		MOL009380	BB8	bisdehydrostemoninine
	MOL002917	HQ10	5,2',6'-Trihydroxy-7,8-dimethox- yflavone		MOL009381	BB9	bisdehydrostemoninine A
	MOL002925	HQ11	5,7,2',6'-Tetrahydroxyflavone		MOL009381	BB9	bisdehydrostemoninine A
	MOL002925	HQ11	5,7,2',6'-Tetrahydroxyflavone		MOL009382	BB10	bisdehydrostemoninine B
	MOL002927	HQ12	skullcapflavone Ⅱ		MOL009382	BB10	bisdehydrostemoninine B
	MOL002927	HQ12	skullcapflavone Ⅱ		MOL009386	BB11	3,3'-bis-(3,4-dihydro-4-hydroxy-6-methoxy)-2H-1-benzopyran
	MOL002928	HQ13	oroxylin a		MOL009386	BB11	3,3'-bis-(3,4-dihydro-4-hydroxy-6-methoxy)-2H-1-benzopyran
	MOL002928	HQ13	oroxylin a		MOL009387	BB12	didehydrotuberostemonine
	MOL002932	HQ14	panicolin		MOL009387	BB12	didehydrotuberostemonine
	MOL002932	HQ14	panicolin		MOL009411	BB13	protostemotinine
	MOL002933	HQ15	5,7,4'-Trihydroxy-8-methoxyflavone		MOL009411	BB13	protostemotinine
	MOL002933	HQ15	5,7,4'-Trihydroxy-8-methoxyflavone		MOL009414	BB14	sessilifoliamide C
	MOL002934	HQ16	neobaicalein		MOL009414	BB14	sessilifoliamide C
	MOL002934	HQ16	neobaicalein		MOL009423	BB15	sessilistemonamine A
	MOL002937	HQ17	dihydrooroxylin		MOL009423	BB15	sessilistemonamine A
	MOL002937	HQ17	dihydrooroxylin		MOL009424	BB16	sessilistemonamine B
	MOL000525	HQ18	norwogonin		MOL009424	BB16	sessilistemonamine B
	MOL000525	HQ18	norwogonin		MOL009430	BB17	stemonamide
	MOL000552	HQ19	5,2'-Dihydroxy-6,7,8-trimethoxy- flavone		MOL009430	BB17	stemonamide
	MOL000552	HQ19	5,2'-Dihydroxy-6,7,8-trimethoxy- flavone		MOL009433	BB18	stemoninine B
	MOL000073	HQ20	ent-Epicatechin		MOL009434	BB19	stemoninoamide
	MOL001458	HQ21	coptisine	丹参	MOL001601	DS1	1,2,5,6-tetrahydrotanshinone
	MOL002879	HQ22	diop		MOL001659	DS2	poriferasterol
	MOL002897	HQ23	epiberberine		MOL001942	DS3	isoimperatorin
	MOL008206	HQ24	moslosooflavone		MOL002222	DS4	sugiol
	MOL012245	HQ25	5,7,4'-trihydroxy-6-methoxyfla- vanone		MOL002651	DS5	dehydrotanshinone Ⅱ_A
	MOL012245	HQ25	5,7,4'-trihydroxy-6-methoxyfla- vanone		MOL000569	DS6	digallate
	MOL012246	HQ26	5,7,4'-trihydroxy-8-methoxyfla- vanone		MOL000569	DS6	digallate
					MOL000006	DS7	luteolin
					MOL007036	DS8	5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3-dihydrophenanthren-4-one
	MOL012266	HQ27	rivularin		MOL007036	DS8
丹参	MOL007041	DS9	2-isopropyl-8-methylphenanthrene-3,4-dione	丹参	MOL007100	DS32	dihydrotanshinlactone
丹参	MOL007041	DS9	2-isopropyl-8-methylphenanthrene-3,4-dione		MOL007101	DS33	dihydrotanshinoneⅠ
	MOL007045	DS10	3α-hydroxytanshinone Ⅱa		MOL007101	DS33	dihydrotanshinoneⅠ
	MOL007045	DS10	3α-hydroxytanshinone Ⅱa		MOL007105	DS34	epidanshenspiroketallactone
	MOL007048	DS11	(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid		MOL007105	DS34	epidanshenspiroketallactone
					MOL007107	DS35	C09092
					MOL007108	DS36	isocryptotanshi-none
	MOL007049	DS12	4-methylenemiltirone		MOL007108	DS36	isocryptotanshi-none
	MOL007049	DS12	4-methylenemiltirone		MOL007111	DS37	isotanshinone Ⅱ
	MOL007050	DS13	2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-ben-zofurancarboxaldehyde		MOL007111	DS37	isotanshinone Ⅱ
					MOL007119	DS38	miltionone Ⅰ
					MOL007120	DS39	miltionone Ⅱ
	MOL007058	DS14	formyltanshinone		MOL007120	DS39	miltionone Ⅱ
	MOL007058	DS14	formyltanshinone		MOL007122	DS40	miltirone
	MOL007059	DS15	3-β-Hydroxymethyllenetanshiquinone		MOL007122	DS40	miltirone
	MOL007059	DS15	3-β-Hydroxymethyllenetanshiquinone		MOL007124	DS41	neocryptotanshinoneⅡ
	MOL007061	DS16	methylenetanshinquinone		MOL007124	DS41	neocryptotanshinoneⅡ
	MOL007061	DS16	methylenetanshinquinone		MOL007125	DS42	neocryptotanshinone
	MOL007063	DS17	przewalskin a		MOL007125	DS42	neocryptotanshinone
	MOL007063	DS17	przewalskin a		MOL007127	DS43	1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione
	MOL007064	DS18	Przewalskin b		MOL007127	DS43
	MOL007064	DS18	Przewalskin b		MOL007130	DS44	prolithospermic acid
	MOL007068	DS19	przewaquinone B		MOL007130	DS44	prolithospermic acid
	MOL007068	DS19	przewaquinone B		MOL007132	DS45	(2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid
	MOL007069	DS20	przewaquinone c
	MOL007070	DS21	(6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione
					MOL007141	DS46	salvianolic acid g
					MOL007143	DS47	salvilenone Ⅰ
	MOL007071	DS22	przewaquinone f		MOL007143	DS47	salvilenone Ⅰ
	MOL007071	DS22	przewaquinone f		MOL007145	DS48	salviolone
	MOL007077	DS23	sclareol		MOL007145	DS48	salviolone
	MOL007077	DS23	sclareol		MOL007150	DS49	(6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone
	MOL007079	DS24	tanshinaldehyde
	MOL007081	DS25	danshenol B
	MOL007081	DS25	danshenol B		MOL007151	DS50	tanshindiol B
	MOL007082	DS26	danshenol A		MOL007151	DS50	tanshindiol B
	MOL007082	DS26	danshenol A		MOL007152	DS51	przewaquinone E
	MOL007085	DS27	salvilenone		MOL007152	DS51	przewaquinone E
	MOL007085	DS27	salvilenone		MOL007154	DS52	tanshinone Ⅱ_A
	MOL007088	DS28	cryptotanshinone		MOL007154	DS52	tanshinone Ⅱ_A
	MOL007088	DS28	cryptotanshinone		MOL007155	DS53	(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione
	MOL007093	DS27	dan-shexinkum d
	MOL007094	DS30	danshenspiroketallactone
	MOL007098	DS31	deoxyneocryptotanshinone		MOL007156	DS54	tanshinone Ⅵ

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靶点	BC	CC	Degree	靶点	BC	CC	Degree
TP53	0.04934171	0.85263158	67	MAPK1	0.01429982	0.75700935	55
IL6	0.05941081	0.84375000	66	CXCL8	0.01427692	0.74311927	53
AKT1	0.05284671	0.84375000	66	MMP9	0.01574800	0.73636364	52
VEGFA	0.04702297	0.81818182	63	FOS	0.01272944	0.72321429	50
EGFR	0.03042531	0.78640777	59	FN1	0.00789343	0.70434783	47
PTGS2	0.02918504	0.77142857	57	PPARG	0.01693000	0.70434783	47
JUN	0.01497720	0.77142857	57	CYCS	0.01297165	0.69827586	46
CASP3	0.01374627	0.75700935	56	MAPK14	0.00668698	0.69230769	46
STAT3	0.01360398	0.76415094	56	IL10	0.00447499	0.69827586	46
TNF	0.02303751	0.76415094	56	ERBB2	0.01147722	0.69827586	46