首页|基于网络药理学探究滇黄精抗疲劳作用及其机制

基于网络药理学探究滇黄精抗疲劳作用及其机制

扫码查看
[目的]基于网络药理学探究滇黄精(Polygonatum kingianum)潜在的抗疲劳机制.[方法]使用中药系统药理学数据库与分析平台(TCMSP)、CNKI和DrugBank数据库搜寻滇黄精的主要活性成分,并利用Swis-sTargetPrediction数据库预测各活性成分的作用靶点;通过Disgenet数据库获取与疲劳有关的靶点;借助Venny 2.1.0和Cytoscape v3.9.0构建滇黄精—活性成分—抗疲劳靶点网络,根据其节点度值筛选滇黄精的主要活性成分.通过String数据库构建蛋白质互作(protein-protein interaction,PPI)网络,通过节点度值筛选滇黄精抗疲劳的关键靶点.使用DAVID数据库对筛选的关键靶点进行基因本体论(gene ontology,GO)分析及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.使用AutoDock Vina软件对滇黄精的主要活性成分与抗疲劳关键靶点进行分子对接.[结果]获得滇黄精活性成分 38种;预测得到滇黄精抗疲劳靶点 30个;筛选出滇黄精抗疲劳的主要活性成分 3个,分别是 3′-甲氧基大豆苷元、黄芩素和β-谷甾醇.PPI网络分析结果表明:EGFR、STAT3、PTPN11、ERBB2、ESR1和JAK2为滇黄精抗疲劳的关键靶点.GO分析和KEGG通路分析表明:滇黄精抗疲劳作用主要涉及 68个条目和 39个通路.分子对接结果显示:滇黄精的主要活性成分与抗疲劳关键靶点结合稳定.[结论]本研究通过网络药理学构建了滇黄精—活性成分—抗疲劳拓扑网络,挖掘出滇黄精抗疲劳的主要活性成分及抗疲劳关键靶点,并对主要活性成分与关键靶点进行分子对接.研究结果为滇黄精的抗疲劳功效提供了理论依据.
Antifatigue Effect and Mechanism of Polygonatum kingianum Based on Network Pharmacology
[Purpose]To investigate the potential antifatigue mechanism of Polygonatum kingian-um based on network pharmacology.[Methods]The main active ingredients of P.kingianum were searched from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),CNKI and DrugBank databases,and the potential targets of these active ingredients of P.kingianum were predicted by the SwissTargetPrediction database.The network of the active ingredi-ents and antifatigue targets of P.kingianum was contructed through Venny 2.1.0 and Cytoscape v3.9.0,and the key active ingredients of P.kingianum were screened according to the degree values of nodes.The protein-protein interaction(PPI)network was constructed by the String database,and the key antifatigue targets of P.kingianum were screened by the degree values of nodes.Gene Ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed on the obtained the key targets using the DAVID database.Molecular docking of key ingredients to the key targets was performed using AutoDock Vina software.[Results]A total of 38 active ingredients,and 30 potential antifatigue targets of P.kingianum were obtained.Three main active ingredients(3′-methoxydaidzein,baicalein and beta-sitosterol)of P.kingianum were screened.The PPI network showed that EGFR,STAT3,PTPN11,ERBB2,ESR1,and JAK2 were the key tar-gets of antifatigue effects of P.kingianum.GO analysis and KEGG pathway analysis showed that the antifatigue effects of P.kingianum involved 68 items and 39 pathways.The results of molecular dock-ing showed that the main active ingredients of P.kingianum bound stably to the key targets of antifa-tigue.[Conclusion]A topological network of P.kingianum-active ingredients-antifatigue is con-structed through network pharmacology in this study.The main active ingredients and the key antifa-tigue targets of P.kingianum are explored,and the molecular docking between the main active in-gredients and the key targets is carried out.The results provide a theoretical basis for the antifatigue efficacy of P.kingianum.

Polygonatum kingianumantifatiguenetwork pharmacologymolecular docking

张楠、杨帆、马仲帅、马舒韵、李曦明、温燕龙、李凌飞

展开 >

云南农业大学食品科学技术学院,云南昆明 650201

滇黄精 抗疲劳 网络药理学 分子对接

云南省科技重大专项云南省教育厅科研项目

202402AE0900112024Y294

2024

云南农业大学学报
云南农业大学

云南农业大学学报

CSTPCDCHSSCD
影响因子:0.49
ISSN:1004-390X
年,卷(期):2024.39(1)
  • 33