复方鹿茸健骨胶囊治疗老年性骨质疏松的网络药理学与分子对接机制研究  

Research on the Mechanism of Compound Lurong Jiangu Capsule for Treating Senile Osteoporosis by Network Pharmacology and Molecular Docking

作　　者：周亚双 于澳雪 曹文轩 李盼 梁金玲 冷向阳[1] 刘佳[1] ZHOU Yashuang;YU Aoxue;CAO Wenxuan;LI Pan;LIANG Jinling;LENG Xiangyang;LIU Jia(Changchun University of Chinese Medicine,Changchun 130117,China)

机构地区：[1]长春中医药大学,吉林长春130117

出　　处：《特产研究》2024年第1期86-94,110,共10页Special Wild Economic Animal and Plant Research

基　　金：国家自然科学基金区域基金项目(U22A20367);吉林省教育厅科学技术研究项目(JJKH20220882KJ);吉林省科技发展计划项目(YDZJ202201ZYTS205)。

摘　　要：通过网络药理学来预测复方鹿茸健骨胶囊(CLJC)治疗老年性骨质疏松(Senile Osteoporosis,SOP)的作用机制。通过中药系统药理学成分分析平台(BATMAN-TCM)、TCMID数据库、中国知网、PubMed和Web of Science等途径查阅相关文献,中药系统药理学数据库(TCMSP)检索CLJC的主要活性成分,ADME功能以及Uniprot数据库检索筛选CLJC的主要活性成分靶点;通过GeneCards、在线人类孟德尔遗传数据库(OMIM)、疾病相关的基因与突变位点数据库(DisGeNET)检索SOP主要作用靶点;通过Venny2.1.0软件对药物靶点与疾病靶点取交集,两者交集即为CLJC治疗SOP潜在靶点;用STRING数据库分析蛋白质-蛋白质相互作用(PPI),并且构建PPI网络图;用Metascape数据库进行基因本体(GO)和京都基因与基因组百科全书(KEGG)富集分析,并通过Cytoscape 3.9.2软件构建“药物成分-靶点-疾病-通路”网络图;最后,通过Auto Dock Tools 1.5.7软件将核心活性成分与核心靶点进行分子对接,并进一步验证CLJC治疗SOP以及网络药理学所得出的结论。CLJC共筛选到89种活性成分,相对应的药物靶点有463个;SOP共筛选到972个疾病靶点;CLJC与SOP共有81个靶点,核心靶点有AKT1、TP53、CTNNB1、SRC、RXRA、ITGB3、SP1、MMP3、TNF、MMP9、MMP2、TGFB1、PPARG、FOS、IGF2、VEGFA和IL10等;GO分析显示,BP有激素反应(Response to hormone)、肽反应(Response to peptide)、细胞对氮化合物的反应(Cellular response to nitrogen compound)等;MF有信号受体调节器活性(Signaling receptor regulator activity)、信号受体激活器活性(Signaling receptor activator activity)、受体配体活性(Receptor ligand activity)等;CC有隔膜筏(Membrane raft)、膜微结构域(Membrane microdomain)、质膜筏(Plasma membrane raft)等;KEGG富集分析共得到164条通路,主要有癌症通路(Pathways in cancer)、MAPK信号通路(MAPK signaling pathway)、癌症蛋白聚糖(Proteoglycans in cancer)以及脂质和动脉粥样硬化(Lipid anTo predict the mechanism of action of Compound Lurong Jiangu Capsules(CLJC) in the treatment of Senile Osteoporosis(SOP)by network pharmacology.The relevant literatures have searched through the systemic pharmacology component analysis platform of traditional Chinese medicine(BATMAN-TCM),TCMID database,CNKI,PubMed and Web of Science,and the main active components of CLJC are retrieved from the systemic pharmacology database of traditional Chinese medicine(TCMSP),ADME function and Uniprot database search and screen the main active ingredient targets of CLJC;search for the main targets of SOP through GeneCards,online human Mendelian genetic database(OMIM),disease-related genes and mutation site database(DisGeNET);through Venny2.1.0 software takes the intersection of the drug target and the disease target,and the intersection of the two is the potential target of CLJC treatment SOP;the STRING database is used to analyze the protein-protein interaction(PPI),and the PPI network is constructed;the Metascape database is used for Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis,and construct a "drug ingredient-targetdisease-pathway" network diagram through Cytoscape3.9.2 software;Molecular docking of the core targets is used to further verify the conclusions drawn from CLJC treatment SOP and network pharmacology.A total of 89 active ingredients are screened by CLJC,corresponding to 463 drug targets;a total of 972 disease targets are screened by SOP;there are 81 targets in CLJC and SOP,and the core targets are AKT1,TP53,CTNNB1,SRC,RXRA,ITGB3,SP1,MMP3,TNF,MMP9,MMP2,TGFB1,PPARG,FOS,IGF2,VEGFA,IL10,etc.;GO analysis shows that BP has response to hormone,response to peptide,cellular response to nitrogen compound,etc.;MF includes signaling receptor regulator activity,signaling receptor activator activity,receptor ligand activity,etc.;CC includes membrane raft,membrane microdomain,plasma membrane raft,etc.;KEGG enrichment analysis obtaines a total of 164 pathways,mainly including pathways i

关 键 词：复方鹿茸健骨胶囊 老年性骨质疏松 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]