研究动态
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玉米须在阿尔茨海默病治疗中的作用:基于网络药理学结合分子对接和实验验证的机制研究。

Role of corn silk for the treatment of Alzheimer's disease: A mechanism research based on network pharmacology combined with molecular docking and experimental validation.

发表日期:2023 Aug 10
作者: Tian-Ze Tao, Lu Wang, Jie Liu
来源: Alzheimers & Dementia

摘要:

本研究旨在通过网络药理学、分子对接和动物实验证明玉米须活性成分在阿尔茨海默病(AD)中的可能机制和效果。通过搜索TCMSP数据库获得了玉米须的活性成分,并通过TCMSP和SwissTargetPrediction平台获取了与玉米须活性成分相对应的靶点,并在GeneCards、OMIM和DisgeNET数据库中获取了AD的靶点。利用Cytoscape创建了“活性成分-靶点”关系网络,利用STRING和Cytoscape创建了蛋白质相互作用(PPI)网络。此外,使用Meta scape进行了与交叉靶点的基因本体(GO)富集分析和基因组学和基因组(KEGG)通路富集分析;使用AutoDockTools和Pymol进行了核心成分和核心靶点的分子对接和可视化;并使用动物实验证实了熊果苷的抗AD作用。筛选出了玉米须的12种活性成分,包括465个靶点和209个交叉靶点。此外,GO功能分析结果显示,玉米须的抗AD作用主要通过磷酸转移酶活性、对激素的响应、膜泛素等方面体现;KEGG结果表示涉及的主要途径包括癌症、阿尔茨海默病等;分子对接结果显示核心成分(α-生育酚喹酮、熊果苷等)与核心靶点的结合情况良好。此外,动物实验结果显示熊果苷不仅降低了小鼠体内炎症因子TNF-α和IL-1β的表达,还减轻了炎症反应。通过网络药理学和实验证实,本研究探讨了玉米须抗AD的物质基础和机制。简而言之,玉米须中的熊果苷通过抑制炎症发挥抗AD作用。© 2023 John Wiley & Sons Ltd.
This study aimed to research the possible mechanism and effect of active ingredients of corn silk on Alzheimer's disease (AD) by the method of network pharmacology, molecular docking, and animal experiments. The active ingredients of Corn silk were obtained by searching the TCMSP database and the targets corresponding to the active ingredients of Corn silk were obtained through the TCMSP and SwissTargetPrediction platforms, and the AD targets were obtained in the GeneCards, OMIM, and DisgeNET databases. Cytoscape was employed for creating the "active ingredient-target" relationship network; STRING and Cytoscape for creating the protein-protein interaction (PPI) network. Besides, Meta scape was used for Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis of the intersecting targets; AutoDockTools and Pymol for molecular docking and visualization of core ingredients and core targets; and animal experiments for verifying the anti-AD effect of luteolin. A total of 12 active ingredients of corn silk were screened, including 465 targets and 209 intersected targets. Moreover, GO functional analysis results showed that the anti-AD effect of corn silk was mainly reflected in phosphotransferase activity, response to hormone, membrane raft, etc.; KEGG results indicated the main pathways involving cancer, Alzheimer disease, etc.; and the molecular docking results revealed excellent binding of the core ingredients (α-tocopheryl quinone, luteolin, etc.) to the core targets. Besides, the outcomes of animal experiments exhibited that luteolin not only reduced the expression of inflammatory factors TNF-α and IL-1β in mice but also attenuated inflammation. With the help of network pharmacology and experimental validation, the material basis and mechanism of the anti-AD of corn silk have been explored in this study. Briefly speaking, luteolin from corn silk plays an anti-AD role by inhibiting inflammation.© 2023 John Wiley & Sons Ltd.