摘要
目的通过网络药理学方法预测独蒜兰对2型糖尿病(T2DM)的潜在作用靶点与信号通路。方法通过中药系统药理学数据库与分析平台(TCMSP)、中医药百科全书数据库(ETCM)、中药分子机制生物信息学分析数据库(BATMAN-TCM)检索独蒜兰药材成分,利用人类孟德尔遗传数据库(OMIM)、药物靶标信息数据库(TTD)、人类基因综合分析数据库(GeneCards)预测T2DM的疾病靶点,运用Venny 2.1.0软件分析独蒜兰与T2DM的交集靶点,蛋白质相互作用数据库(STRING)获取蛋白质相互作用网络,运用R语言软件对核心靶点进行基因本体论(GO)功能分析和京都基因与基因组百科全书(KEGG)通路富集分析,Cytoscape 3.9.1软件构建“药材-活性成分-靶点”及“关键活性成分-核心靶点-通路”网络,利用全自动蛋白-配体盲对接计算在线平台(CB-DOCK2)和分子可视化软件(PyMOL)软件进行分子对接。结果独蒜兰活性成分12个,作用靶点135个,对T2DM交集基因靶点17个,5个核心靶点肿瘤坏死因子(TNF)、过氧化物酶体增殖物激活受体α(PPARA)、核因子κB亚基1(NFKB1)、前列腺素过氧化物合酶2(PTGS2)、转化生长因子1(TGFB1),KEGG富集分析得到43条信号通路,其中与T2DM有关的通路主要有3条,分别为晚期糖基化终产物-晚期糖基化终产物受体(AGE-RAGE)、白细胞介素-17(IL-17)、磷脂酰肌醇3-激酶-蛋白激酶B(PI3K-Akt)信号通路,GO功能富集分析得到51个生物过程。结论本研究阐明了独蒜兰对T2DM的多成分、多靶点及多通路作用机制,为后续药理学研究提供了理论基础。
Objective To predict the potential targets and signaling pathways of Pleione bulbocodioides in the treatment of type 2 diabetes mellitus(T2DM)using network pharmacology methods.Methods The components of Pleione bulbocodioides were retrieved from TCMSP(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform),ETCM(Encyclopedia of Traditional Chinese Medicine),and BATMAN-TCM(Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine).The disease targets of T2DM were predicted via OMIM(Online Mendelian Inheritance in Man),TTD(Therapeutic Target Database),and GeneCards(GeneCards:The Human Gene Database).Venny 2.1.0 software was used to analyze the overlapping targets between Pleione bulbocodioides and T2DM.The protein-protein interaction(PPI)network was obtained from STRING(Search Tool for the Retrieval of Interacting Genes/Proteins).R software was applied for Gene Ontology(GO)functional analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of core targets.Cytoscape 3.9.1 software was used to construct the"herb-active component-target"and"key active component-core target-pathway"networks.Molecular docking was performed using the online platform CB-DOCK2(Auto Protein-Ligand Blind Docking Web Server)and PyMOL(molecular visualization software).Results There are 12 active components in Pleione bulbocodioides,135 potential action targets,and 17 overlapping gene targets with T2DM.Five core targets were identified:TNF,PPARA,NFKB1,PTGS2,and TGFB1.KEGG enrichment analysis produced 43 signaling pathways,among which three were primarily related to T2DM:the AGE-RAGE,IL-17,and PI3K-Akt signaling pathways.GO functional enrichment analysis yielded 51 biological processes.Conclusion This study elucidates the multi-component,multi-target,and multi-pathway mechanism of Pleione bulbocodioides in treating T2DM,thereby providing a theoretical foundation for subsequent pharmacological investigations.
作者
成娇
鲁媛
姜梦琼
张虎山
Cheng Jiao;Lu Yuan;Jiang Mengqiong;Zhang Hushan(School of Pharmacy,Zhaotong Health Vocational College,Zhaotong,Yunnan 657000,China;School of Basic Medicine,Zhaotong Health Vocational College,Zhaotong,Yunnan 657000,China;Clinical School,Zhaotong Health Vocational College,Zhaotong,Yunnan 657000,China)
出处
《中国药物与临床》
2025年第19期1256-1264,共9页
Chinese Remedies & Clinics
基金
昭通卫生职业学院校级课题(202405)。
关键词
独蒜兰
糖尿病
2型
网络药理学
分子对接模拟
Pleione bulbocodioides
Diabetes mullitus,type 2
Network pharmacology
Molecular docking simulation
