[關鍵詞]
[摘要]
目的 綜合運用數據挖掘、關聯分析、網絡藥理學以及分子對接等方法研究含靈芝保健食品的組方規(guī)律,并探討其潛在作用機制。方法 從國家市場監(jiān)督管理總局和藥智網收集含靈芝保健品的備案信息,分析原料中藥及其配伍規(guī)律。整合中藥系統藥理學數據庫與分析平臺(Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform,TCMSP)、本草組鑒(Herbal Expert Review,HERB)等多個數據庫及檢索相關文獻,收集靈芝的活性成分,借助SwissTargetPrediction平臺預測其作用靶點。通過GeneCards、OMIM等數據庫收集靈芝主要保健功能的關鍵靶點,并運用String數據庫、Cytoscape軟件構建PPI網絡篩選核心靶點,并進行基因本體(gene ontology,GO)功能和京都基因與基因組百科全書(Kyoto encyclopedia of genes and genomes,KEGG)通路富集研究,最終運用AutoDock軟件完成分子對接驗證。結果 納入857種含靈芝保健品,涉及201味中藥,功效以止咳平喘、補氣安神為主,四氣以平為主,五味以甘為主,歸經以肺經、腎經、心經、肝經為主,劑型以膠囊劑為主,主要保健功能為“有助于增強免疫力”(571次)。篩選得到靈芝活性成分298個、作用靶點1 114個,靈芝增強免疫力潛在靶點367個、核心靶點67個。靈芝增強免疫力的作用主要與對外源性刺激的反應等過程及癌癥通路、乙型肝炎病毒、脂質與動脈粥樣硬化通路等信號通路相關。分子對接表明,靈芝的關鍵活性成分與核心靶點能夠自發(fā)穩(wěn)定結合。結論 綜合運用數據挖掘、網絡藥理學及分子對接等方法,深入剖析含靈芝保健食品的原料配伍規(guī)律及其增強免疫力機制通路,初步揭示靈芝活性成分的關鍵作用靶點及信號通路,從而為靈芝后續(xù)保健品開發(fā)提供科學的理論支持。
[Key word]
[Abstract]
Objective Comprehensively utilizing various techniques, such as data mining, association analysis, network pharmacology and molecular docking, to study the formulation rules of Ganoderma lucidum-containing health food products and to elaborate their potential mechanisms. Methods Recorded information of G.lucidum-containing health products was collected from the State Administration of Market Supervision and Pharmacovigilance.com to analyze the raw materials of traditional Chinese medicines (TCMs) and compatibility regularity. The active ingredients of G.lucidum were collected from Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform (TCMSP), Herbal Expert Review (HERB) and other databases and literatures, and their targets were predicted with the help of SwissTargetPrediction platform. The key targets of major health benefits were collected through GeneCards, OMIM and other databases, and the core targets were screened for gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment studies by using String database and Cytoscape software to construct a PPI network, and the molecular docking validation was finally completed by using AutoDock software. Results A total of 857 health food products containing G.lucidum were included, involving 201 TCMs, with the efficacy of relieving cough and asthma, tonifying qi and tranquilizing the mind, the four qi being mainly calm, the five flavors being mainly sweet, the attributing meridians being mainly the lung meridian, the kidney meridian, the heart meridian and the liver meridian, and the dosage form being mainly capsule, with the main health care function of helping to enhance immunity (571 times). A total of 298 active ingredients and 1 114 action targets of G.lucidum, and 367 potential targets and 67 core targets of G. lucidum for enhancing immunity were obtained. The immunity-enhancing effect of G.lucidum is mediated by processes such as response to xenobiotic stimulus and pathways in cancer, hepatitis B, lipid and atherosclerosis signaling pathways. Molecular docking showed that the key active components of G. lucidum docked well with the core targets. Conclusion In this study, data mining, network pharmacology and molecular docking techniques were comprehensively applied to analyze the raw material compatibility pattern of G. lucidum-containing health food and its immunity-enhancing mechanism, and to preliminarily reveal the key targets and signaling pathways of G. lucidum’s active ingredients, so as to provide scientific and theoretical support for the development of G. lucidum’s subsequent health food.
[中圖分類號]
R285
[基金項目]
產學研合作項目:靈芝蜂膠膠囊抗炎免疫活性和抗腫瘤研究(2024HZ021);安徽省高校優(yōu)秀青年教師項目(YQYB2024030);安徽中醫(yī)藥大學第二附屬醫(yī)院“杏林英才”培育計劃項目(2023-0500-48)