基于数据挖掘和网络药理学的淫羊藿保健品组方规律及主要保健功能研究  

Formulation rules and main health functions of health products containing Epimedii Folium based on data mining and network pharmacology

作　　者：刘永铭 刘树森 熊轶喆 沈知彼[1,2] 王翔[1,2] 齐卓操 詹红生[1,2] 杜国庆[1,2] LIU Yongming;LIU Shusen;XIONG Yizhe;SHEN Zhibi;WANG Xiang;QI Zhuocao;ZHAN Hongsheng;DU Guoqing(Shi’s Center of Orthopedics and Traumatology,Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China;Institute of Traumatology&Orthopedics,Shanghai Academy of Traditional Chinese Medicine,Shanghai 201203,China;School of Pharmacy,Harbin University of Commerce,Harbin 50076,China;School of Traditional Chinese Medicine,Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China)

机构地区：[1]上海中医药大学附属曙光医院石氏伤科医学中心,上海201203 [2]上海市中医药研究院骨伤科研究所,上海201203 [3]哈尔滨商业大学药学院,黑龙江哈尔滨150076 [4]上海中医药大学中医学院,上海201203

出　　处：《中草药》2024年第6期2027-2039,共13页Chinese Traditional and Herbal Drugs

基　　金：国家自然科学基金面上项目(82174403,82074466);上海市慢性筋骨病临床医学研究中心(20MC1920600);上海市临床重点专科“中医骨伤科”(shslczdzk03901);全国中医学术流派传承工作室第二轮建设项目“石氏伤科”;上海高水平地方高校“慢性筋骨病损研究与转化”创新团队(沪教委人[2022]3号);海派中医流派传承延伸计划(ZY(2021-2023)-0209-02);詹红生全国名老中医药专家传承工作室建设项目(2022-75)。

摘　　要：目的通过数据挖掘、网络药理学及分子对接技术分析含淫羊藿的保健食品的组方规律并对其潜在的机制进行研究。方法通过检索国家市场监督管理总局及药智网含淫羊藿的保健食品,采用频数统计和关联规则等方法分析基本信息及组方规律。通过检索TCMSP等数据库、整理相关文献获得淫羊藿相关化学成分及潜在靶点;根据保健功能频次分析结果,从GeneCards等数据库中筛选相关的潜在靶点信息;借助R语言相关软件包、String数据库、Cytoscape软件等筛选出关键成分和关键靶点。随后进行蛋白质相互作用(protein-protein interaction,PPI)网络分析,根据度(degree)值筛选出核心靶点,并进行基因本体(gene ontology,GO)和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)通路富集分析。最后,利用分子对接技术验证核心靶点和关键成分的作用亲和力。结果筛选纳入501种含淫羊藿保健食品。剂型以胶囊剂为主;保健功能频次排名前3的分别为缓解体力疲劳(343次)、有助于增强免疫力(140次)、有助于改善骨密度(87次);涉及116种中药,以补虚药为主,四气以温为主,五味以甘为主,归经以肾经为主。获得淫羊藿有效成分139个、靶基因1677个,获得体力疲劳相关潜在靶点849个、免疫力相关潜在靶点2076个、骨质疏松相关潜在靶点1440个;将淫羊藿和主要保健功能的靶基因取交集,得到淫羊藿缓解体力疲劳关键靶点227个、有助于增强免疫力关键靶点358个、有助于改善骨密度关键靶点332个;淫羊藿通过激酶活性的正向调节等过程及磷脂酰肌醇-3-羟激酶(phosphatidylinositol-3-hydroxykinase,PI3K)/蛋白激酶B(protein kinase B,Akt)等信号通路起到缓解体力疲劳的作用,通过细胞因子产生的正向调节等过程及Th17细胞分化等信号通路起到增强免疫力的作用,通过对肽的反应等过程及PI3K/Akt等信号通路起到改善骨密Objective To analyze the formulation rules of health products containing Yingyanghuo(Epimedii Folium)and investigate their potential mechanisms through data mining,network pharmacology,and molecular docking technology.Methods Health products containing Epimedii Folium from the State Administration for Market Regulation and Yaozhi.com were systematically searched.Basic information and prescription rules were analyzed using methods such as frequency statistics and association rules.Epimedii Folium-related chemical components and potential targets were obtained by searching TCMSP and other databases and reviewing pertinent literature.Based on the results of health function frequency analysis,relevant potential target information was screened from databases such as GeneCards.Utilizing R language,related software packages,String database,and Cytoscape software,key components and targets were identified.Subsequently,protein-protein interaction(PPI)network analysis was conducted,core targets were identified based on degree values,and gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analyses were performed.Finally,molecular docking technology was employed to verify the affinity of the core target and key components.Results A total of 501 health foods containing Epimedii Folium were screened and included.The predominant dosage forms were capsules.The top three most frequently addressed health care functions were relieving physical fatigue(343 times),enhancing immunity(140 times),and improving bone density(87 times).Involving 116 types of traditional Chinese medicines,mainly tonics,with a focus on warmth,sweetness,and distribution along the kidney meridian.A total of 139 active ingredients and 1677 target genes of Epimedii Folium were screened.There were 849 potential targets related to physical fatigue,2076 related to immunity,and 1440 related to osteoporosis.Through the intersection of Epimedii Folium and target genes related to major health functions,227 key targets for relieving phys

关 键 词：淫羊藿 保健品 数据挖掘 网络药理学 缓解体力疲劳 增强免疫力 改善骨密度 淫羊藿苷 朝藿定A 

分 类 号：R285[医药卫生—中药学]