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基于网络药理学和分子对接技术探讨心脑脉康颗粒治疗颈动脉粥样硬化的作用机制。

To explore the mechanism of Xinnaomaikang granule in the treatment of carotid atherosclerosis based on network pharmacology and molecular docking.

作者信息

Li Dinglei, Pang Min

机构信息

Department of Internal Medicine, Liaoning University of Chinese Medicine, Shenyang, Liaoning Province, China.

Department of Internal Medicine, The Second Affiliated Hospital of Liaoning University of Chinese Medicine, Shenyang, Liaoning Province, China.

出版信息

Medicine (Baltimore). 2025 Mar 14;104(11):e41832. doi: 10.1097/MD.0000000000041832.

DOI:10.1097/MD.0000000000041832
PMID:40101057
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11922441/
Abstract

This study explores the mechanism of Xinnaomaikang granules in the treatment of carotid atherosclerosis based on network pharmacology. The Chinese medicine components of Xinnaomaiang granules: Salvia miltiorrhiza, Astragalus membranacea, Chrysanthemum, Ligustilian, Gegen, Rhizoma vulgare, Fructus officinalis, and Pinellia farinae, was in the TCMSP for query and screening. Converting the corresponding targets into standard gene names in the Uniprot database to form the Chinese medicine-component data and component-target data. Disease genes using TCMSP, OMIM, Kyoto Encyclopedia of Genes and Genomes (KEGG), DISGENET collection database for diseases as target gene, form a disease-target data; pharmaceutical ingredients by Venny 2.1 software targets and diseases genes targets the intersection of processing. The obtained intersection targets were included in the METASCAP for KEGG pathway enrichment and Gene Ontology pathway enrichment analysis, and then the related network diagram was drawn by Cytoscape_v3.10.0. Xinnaomaikang granules had 89 active ingredients and 298 target genes. And carotid atherosclerosis and atherosclerosis in TCMSP, OMIMDISGENET database collected 2086 target genes, and by analyzing Venny 2.1 both there are altogether 137 intersection target genes, the intersection of target gene mapping KEGG networks, lipid and atherosclerosis pathway, cancer signaling pathways. Fluid shear stress and atherosclerosis, chemical carcinogen-receptor activation pathways, can get the intersection target genes exist corresponding function. The protein-protein interaction networks network diagram of traditional Chinese medicine-component-target-disease was drawn, including the response of cells to lipids, hormones, bacterial-derived molecules, inorganic substances, foreign stimuli, nutrient levels, and defense response regulation. Xinnaomaikang granules have multi-components, multi-pathways and multi-targets to treat carotid atherosclerosis, which provides theoretical basis for clinical application.

摘要

本研究基于网络药理学探讨心脑脉康颗粒治疗颈动脉粥样硬化的机制。在心脑脉康颗粒的中药成分丹参、黄芪、菊花、川芎、葛根、莪术、枳壳、法半夏中,通过中药系统药理学数据库与分析平台(TCMSP)进行查询和筛选。将相应靶点在通用蛋白质数据库(Uniprot)中转换为标准基因名称,形成中药成分数据和成分-靶点数据。利用TCMSP、在线人类孟德尔遗传数据库(OMIM)、京都基因与基因组百科全书(KEGG)、疾病相关基因数据库(DISGENET)收集疾病基因作为靶基因,形成疾病-靶点数据;通过Venny 2.1软件对药物成分靶点与疾病基因靶点进行交集处理。将获得的交集靶点纳入Metascape进行KEGG通路富集和基因本体论(Gene Ontology)通路富集分析,然后用Cytoscape_v3.10.0绘制相关网络图。心脑脉康颗粒有89种活性成分和298个靶基因。在TCMSP、OMIM、DISGENET数据库中收集到颈动脉粥样硬化及动脉粥样硬化相关的2086个靶基因,经Venny 2.1分析两者共有137个交集靶基因,将交集靶基因映射到KEGG网络中的脂质与动脉粥样硬化通路、癌症信号通路、流体切应力与动脉粥样硬化、化学致癌物-受体激活通路,可知交集靶基因存在相应功能。绘制了中药成分-靶点-疾病的蛋白质-蛋白质相互作用网络关系图,包括细胞对脂质、激素、细菌衍生分子、无机物、外来刺激、营养水平的反应以及防御反应调节。心脑脉康颗粒治疗颈动脉粥样硬化具有多成分、多途径、多靶点的特点,为临床应用提供了理论依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1795/11922441/39a34afaa922/medi-104-e41832-g012.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1795/11922441/7b1082526022/medi-104-e41832-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1795/11922441/a38826a3ebd8/medi-104-e41832-g009.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1795/11922441/39a34afaa922/medi-104-e41832-g012.jpg

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