基于网络药理学和分子对接技术探讨参附汤治疗心肌梗死的活性成分及靶点

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Abstract Objective To explore the potential components and mechanism of Shenfu Decoction in the treatment of myocardial infarction based on network pharmacology and molecular docking. Methods Traditional Chinese medicine systems pharmacology database and analysis platform was used to search the active components and targets of Shenfu Decoction. GeneCards database was used to search the corresponding targets of myocardial infarction. The intersection of active components of Shenfu Decoction and myocardial infarction target were selected to obtain the potential target of Shenfu Decoction in treating myocardial infarction. Protein gene interaction data were obtained by String database, and protein-protein interaction network was constructed by importing into Cytoscape software. Gene ontology function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of the same target proteins of drugs and diseases were carried out by David database. Molecular docking was performed by using DockThor and Pymol software. Results Shenfu Decoction was mainly used to treat myocardial infarction through 22 active components and 22 signaling pathways acting on 78 targets (26 core targets). Target pathway enrichment results showed that Shenfu Decoction mainly acted on PI3K-Akt, MAPK, apoptosis, NF-κB, and VEGF signaling pathways, etc. The results of molecular docking showed that kaempferol, β-sitosterol, stigmasterol and frutinone A had good binding ability with AKT1, TNF, MAPK8, STAT3, JUN, IL-1β and RELA. Conclusion Shenfu Decoction may play an anti-myocardial infarction by inhibiting apoptosis, promoting angiogenesis and reducing inflammation.

Key words： Shenfu Decoction Network pharmacology Myocardial infarction Molecular docking

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	LIU Tiantian1
	2 YAO Kuiwu1

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LIU Tiantian1,2 YAO Kuiwu1. Discussion on active ingredients and targets of Shenfu Decoction in treating myocardial infarction based on network pharmacology and molecular docking technology[J]. 中国医药导报, 2021, 18(16): 19-24.

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https://www.yiyaodaobao.com.cn/EN/ OR https://www.yiyaodaobao.com.cn/EN/Y2021/V18/I16/19

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