基于网络药理学探讨尪痹方治疗类风湿性关节炎的机制

doi:10.3976/j.issn.1002-4026.2023.03.005

Abstract

Abstract:

Based on the research methods of network pharmacology, we discuss the potential mechanism of Wangbi formula in the treatment of rheumatoid arthritis (RA) in this article. The chemical components and action targets of the Wangbi formula were extracted using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform. The RA-related targets were retrieved from the GeneCards database, the intersection targets of drugs and diseases were obtained using a Venn diagram, and the protein-protein interaction (PPI) network information was obtained using the STRING database. Moreover, the Cytoscape software was used to create the network diagram of drug-active ingredient-target-diseases and PPI, and the common targets were analyzed using Gene Ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) from the DAVID database. Furthermore, the Sybyl-x 2.1.1 software was used for molecular docking validation. Screening yielded 32 active ingredients and 99 related targets, and the core targets were found to be IL-6, TNF, ATK1, PTGS2, VEGFA, etc. The GO function enrichment analysis mainly involved biological processes, such as positive regulation of RNA polymerase II promoter transcription, whereas KEGG pathway enrichment analysis mainly involved TNF, T-cell receptor, toll-like receptor, osteoclast differentiation, and other signaling pathways. The molecular docking results revealed that the core components, such as kaempferol, triptolide, naringenin, kaempferoside, and prickly shank anthocyanin, demonstrated good binding activity with the core targets, such as IL-6, TNF, ATK1, PTGS2, and VEGFA. This study provided a preliminary explanation of the multicomponent and multitarget mechanisms that may underlie the Wangbi formula's potential mechanism of action in the treatment of RA.

Key words: network pharmacology, molecular docking, rheumatoid arthritis, Wangbi formula

CLC Number:

R285

WANG Yifan, ZHANG Yanyan, TIAN Caijun. Network pharmacology to explore the mechanism of Wangbi formula in the treatment of rheumatoid arthritis[J].Shandong Science, 2023, 36(3): 38-45.

Figures/Tables 5

Table 1

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Table 2

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References 31

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来源	英文名称	化合物名称	来源	英文名称	化合物名称
雷公藤	hederagenin	红景天素	白芍	paeoniflorgenone	芍药黄酮
	(+)-Medioresinoldi-O-beta- D-glucopyranoside_qt	(+)-杜仲树脂酚双葡萄糖苷_qt		mairin	丁子香萜
	mairin	丁子香萜		kaempferol	山柰酚
	kaempferol	山柰酚		beta-sitosterol	β-谷甾醇
	beta-sitosterol	β-谷甾醇		sitosterol	谷甾醇
青风藤	16-epi-Isositsirikine	拉兹马宁碱	甘草	inermine	吲哚胺
	magnograndiolide	木兰内酯		DFV	DFV
	michelenolide	Michelenolide		glycyrol	甘氨酸

有效成分	靶点蛋白	对接分数
川皮苷	PTGS2	8.29
山柰酚	ATK1	6.80
山柰酚	TNF	6.69
雷公藤内酯	PTGS2	5.95
柚皮素	ATK1	5.94
柚皮素	PTGS2	5.88
柚皮素	TNF	5.69
刺芒柄花素	PTGS2	5.57
川皮苷	TNF	5.43
山柰酚	PTGS2	5.27

Network pharmacology to explore the mechanism of Wangbi formula in the treatment of rheumatoid arthritis

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