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基于网络药理学和分子对接探讨红景天干预血脂异常的作用机制

The Mechanism of Rhodiola on Hyperlipemia Based on Network Pharmacology and Molecular Docking
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摘要 目的:基于网络药理学和分子对接技术探讨红景天干预血脂异常的作用机制,为新药研发提供参考。方法:通过中药系统药理分析平台(TCMSP)挖掘红景天药物活性组分,通过在线人类孟德尔遗传数据库(OMIM)、治疗靶标数据库(TTD)、GeneCards数据库、DrugBank数据库获得高脂血症相关靶点,构建蛋白质-蛋白质相互作用(PPI)网络。借助Metascape平台分析其主要的生物学过程与代谢通路,并进行富集分析。利用Cytoscape构建红景天成分-高脂血症靶点-通路网络图,对关键靶点与相应活性成分进行分子对接验证。结果:红景天干预高脂血症的核心活性成分为山柰酚、芦丁、紫丁香苷等,核心靶点包括蛋白激酶B1(AKT1)、RELA、丝裂原活化蛋白激酶(MAPK)8、MAPK10、肿瘤坏死因子(TNF)等。分子对接结果显示,芦丁与AKT1、芦丁与RELA、山柰酚与RELA具有较好的结合活性。结论:红景天干预高脂血症具有多成分、多靶点、多通路的作用特点,可能通过抗炎及调节细胞增殖、分化与凋亡等方式干预高脂血症的发生发展。 Objective:To analyze the mechanism of rhodiola in the intervention of hyperlipidemia based on network pharmacology and molecular docking techniques.Methods:The active components of rhodiola were mined in the Traditional Chinese Medicines Systems Pharmacology Platform(TCMSP).Hyperlipidemia related targets were obtained through OMIM,TTD,GeneCards database,and DrugBank database.The protein-protein interaction(PPI)network was constructed.Metascape platform was used to analyze the main biological processes,metabolic pathways,and enrichment analysis was performed.Finally,molecular docking verification was performed between the active ingredients and the key targets.Results:The core active ingredients of rhodiola in the intervention of hyperlipidemia were kaempferol,rutin,and syringin,etc.The core targets are protein kinase(AKT1),RELA,mitogen-activated protein kinase(MAPK)8,MAPK10,and tumor necrosis factor(TNF),etc.The molecular docking results show that rutin and AKT1,rutin and RELA,kaempferol and RELA,these three combinations have good binding activity.Conclusion:Rhodiola play roles in the treatment of hyperlipidemia by anti-inflammatory,regulating cell proliferation,differentiation,and apoptosis based on their multi-component,multi-target,and multi-pathway characteristics.
作者 李昕 于宗良 李晓雅 张晓囡 王泽平 刘龙涛 LI Xin;YU Zongliang;LI Xiaoya;ZHANG Xiaonan;WANG Zeping;LIU Longtao(Graduate School of Beijing University of Chinese Medicine,Beijing 100029,China;Xiyuan Hospital of China Academy of Chinese Medical Sciences,Beijing 100091,China)
出处 《中西医结合心脑血管病杂志》 2023年第6期984-991,共8页 Chinese Journal of Integrative Medicine on Cardio-Cerebrovascular Disease
基金 国家自然科学基金面上项目(No.81973689) 北京自然科学基金(No.7202176) 首都卫生发展科研专项(No.首发2022-2-4172) 国家中医药管理局青年岐黄学者支持项目(No.国中医药人教发〔2020〕7号)。
关键词 血脂异常 红景天 网络药理学 分子对接 作用机制 hyperlipemia rhodiola network pharmacology molecular docking mechanism
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