基于网络药理学和分子对接探讨毛建茶干预高脂血症的作用机制

Using Network Pharmacology and Molecular Docking to Explore the Mechanism by Which Dracocephalum rupestre Hance Tea Intervenes in Hyperlipidemia

本研究旨在运用网络药理学方法和分子对接技术综合解释毛建茶干预高脂血症的核心成分和作用机制。利用中药系统药理学数据库和分析平台筛选得到毛建茶中8个活性成分和160个干预高脂血症作用的靶点,构建“毛建茶-活性成分-交集靶点-高脂血症”网络。基因本体通路分析和京都基因与基因组百科全书通路富集分析结果显示,毛建茶干预高脂血症主要涉及肿瘤坏死因子信号通路、胰岛素抵抗和过氧化物酶体增殖物激活受体等信号通路;分子对接及可视化分析结果表明,毛建茶核心成分与关键靶点间均能稳定结合。综上,毛建茶通过多成分-多靶点-多通路协同作用干预高脂血症,研究结果可为代用茶植物资源的开发与利用提供理论依据。

The purpose of this study was to comprehensively explain the key components and mechanism of action of tea made from the leaves of Dracocephalum rupestre Hance(DRH)for intervening in hyperlipidemia by using network pharmacology and molecular docking.Eight active components of DRH tea and 160 targets for intervention in hyperlipidemia were selected by using the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP),and a‘DRH tea-active ingredients-intersection targets-hyperlipidemia’network was constructed.Gene ontology(GO)pathway analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis showed that the tumor necrosis factor(TNF)signaling pathway,insulin resistance and the peroxisome proliferators-activated receptor(PPAR)signaling pathway were mainly involved in the intervention of DRH tea in hyperlipidemia.Molecular docking and visual analysis showed that the core components of DRH tea could be stably combined with the key targets.Therefore,it is speculated that DRH tea intervenes in hyperlipidemia through the synergistic effect of multi-components,multi-targets,and multi-pathways,which can provide a theoretical basis for the development and utilization of plant resources for herbal tea.