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七味具有代表性的药食两用中药治疗高脂血症机制探讨:基于数据挖掘、网络药理学和分子对接技术

The Mechanism of Seven Types of Edible Traditional Chinese Medicine in the Treatment of Hyperlipidemia Based on Data Mining,Network Pharmacology and Molecular Docking
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摘要 目的:研究中药治疗高脂血症的作用机制。方法:检索2020年版《中华人民共和国药典》与药智数据库,进行处方数据挖掘,构建药物链接关系网络图。从TCMSP数据库中获取药物的主要活性成分及作用靶点,从GeneCards、OMIM、DrugBank、DisGenet、TTD数据库中获取疾病靶点,取交集后得到药物-疾病交集靶点,并筛选出核心靶点与核心成分。使用Metascape、微生信网站进行GO、KEGG富集分析。利用AutoDock、PYMOL进行分子对接及其构象的可视化分析,探究潜在靶点与活性成分的相互作用。结果:7味中药的核心活性成分为槲皮素、木犀草素、染料木黄酮,25种核心靶点为STAT3、IL1B、INS、PPARG、CASP3、HIF1A等,KEGG通路富集的主要通路为MAPK、EGFR、PI3K-Akt、脂质和动脉粥样硬化、细胞液剪切应力和动脉粥样硬化等通路。结论:7味药食两用中药主要通过调节IL1B等靶点及细胞质剪切应激、动脉粥样硬化、PI3K-Akt等通路表达,来治疗高脂血症。 Objective:To explore the molecular mechanism of traditional Chinese medicine in the treatment of hyperlipidemia.Methods:The 2020edition of the Chinese Pharmacopoeia and Yaozhi database were searched,prescription data mining was carried out,and build a drug link network diagram.The main active ingredients and targets of drugs were obtained from the TCMSP database,the disease targets were obtained from the GeneCards,OMIM,DrugBank,DisGenet,and TTD databases,and the drug-disease intersection targets were obtained after intersection,and the core targets and core components were screened.Use Metascape and WeShengxin websites for GO and KEGG enrichment analysis.AutoDock and PYMOL were used to visualize molecular docking and conformation,and explore the interaction between potential targets and active ingredients.Results:The core active ingredients of the seven types of edible traditional Chinese medicines were quercetin,luteolin,genistein,and the 25core targets were STAT3,IL1B,INS,PPARG,CASP3,HIF1A,etc.The main pathways of KEGG pathway enrichment are MAPK signaling pathway,lipid and atherosclerosis,EGFR signaling pathway,cytosol shear stress and atherosclerosis,PI3K-Akt signaling pathway,etc.Conclusion:Seven kinds of traditional Chinese medicine mainly regulate the expressiong of IL1B,cytosol shear stress,atherosc lerosis,PI3K-Akt signaling pathway to treat hyperlipidemia.
作者 李伊花 李继兴 陈旭冰 Li Yihuan;Li Jixing;Chen Xubing(College of Pharmacy,Dali University,Dali 671000,China)
机构地区 大理大学药学院
出处 《亚太传统医药》 2023年第8期132-139,共8页 Asia-Pacific Traditional Medicine
关键词 药食两用中药 高脂血症 数据挖掘 网络药理学 分子对接 Edible Traditional Chinese Medicine Hyperlipidemia Data Mining Network Pharmacology Molecular Docking
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