基于网络药理学和分子对接探讨二仙汤治疗高血压的作用机制

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Abstract Objevtive To explore the mechanism of Erxian Decoction in the treatment of hypertension based on network pharmacology and molecular docking. Methods Traditional Chinese medicine systems pharmacology database and analysis platform was used to screen the main active ingredients and targets of Erxian Decoction. By means of GeneCards, Drugbank, on-line Mendelian inheritance in man, and Therapeutic target database, the targets of hypertension were collected. String online database was used to build proteinprotein interaction network. DAVID database was used to perform GO function enrichment analysis and KEGG pathway enrichment analysis. Autodock vina software was used to conduct molecular docking between targets and active ingredients. Results The effective components of Erxian Decoction were screened out, there were 23 effective components in Herba Epimedii, seven effective components in Rhizoma Curculigins, 20 effective components in Radix Morindae Officinalis, two effective components in Radix Angelicae Sinensis, 15 effective components in Rhizoma Anemarrhenae, 37 effective components in Cortex Phellodendri, and there were 218 action targets in total, 1073 hypertensive disease targets and 101 intersection targets. Through analysis, treatment of hypertension with Erxian Decoction might be related to key targets, such as interleukin-6, vascular endothelial growth factor A, tumor necrosis factor, serine/threonine-protein kinases 1, etc., and the biological pathways included apoptosis and proliferation, responsed to bacterium, etc., pathways mainly included Toll-like receptor signaling pathway, mitogen-activated protein kinase (MAPK) pathway, nucleotide binding oligomerization domain-like receptor signaling pathway, GnRH signaling pathway, etc. The results of molecular docking showed that ingredients in Erxian Decoction had high binding activities with the abovekey targets. Conclusion Erxian Decoction may mainly play a role in regulating endothelial function, smooth muscle cells proliferation, inhibiting inflammatory reactions and oxidative stress, etc., thereby reducing blood pressure levels through quercetin, luteolin, kaempferol and Toll-like receptor signaling pathway, MAPK pathway, nucleotide binding oligomerization domain-like receptor signaling pathway, and GnRH signaling pathway, etc.

Key words： Erxian Decoction Hypertension Network pharmacology Molecular docking

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	MENG Yuan1
	2 LI Ping1 LIU Xin1 YUAN Jing1
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MENG Yuan1,2 LI Ping1 LIU Xin1 YUAN Jing1,2. Mechanism of Erxian Decoction in the treatment of hypertension based on network pharmacology and molecular docking[J]. 中国医药导报, 2021, 18(22): 12-16,27.

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https://www.yiyaodaobao.com.cn/EN/ OR https://www.yiyaodaobao.com.cn/EN/Y2021/V18/I22/12

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