| 摘要: |
| 目的：运用网络药理学和分子对接技术探讨罗汉果治疗糖尿病的作用机制。方法：通过TCMSP平台和Swiss Target Prediction数据库筛选出罗汉果的活性成分及其靶点;利用GeneCard、TTD、OMIM数据库筛选出糖尿病潜在靶点;采用Cytoscape 3.7.2软件构建药物-活性成分-疾病-靶点的可视化网络;通过STRING数据库对关键靶点构建蛋白质-蛋白质相互作用（PPI）网络;利用Metascape数据库进行基因本体（GO）功能以及京都基因与基因组百科全书（KEGG）通路富集分析;利用Autodock4和Pymol软件对关键活性成分和关键靶点进行分子对接分析和可视化。结果：筛选出有效成分18种,糖尿病靶点146个。GO功能富集分析得到GO条目572条,KEGG通路富集分析得到信号通路167条。分子对接结果显示β-谷甾醇、山柰酚、罗汉果醇等关键活性成分与原癌基因酪氨酸蛋白激酶（SRC）等关键靶点的亲和力较高。结论：罗汉果通过多靶点、多通路发挥抗糖尿病的作用,其关键活性成分通过与SRC、丝氨酸/苏氨酸蛋白激酶1（AKT1）、丝裂原活化蛋白激酶3（MAPK-3）等靶点调节晚期糖基化终末产物-糖基化终末产物受体（AGE-RAGE）、缺氧诱导因子1（HIF-1）、磷脂酰肌醇-3-激酶/蛋白激酶（PI3K-Akt）等信号通路起到治疗糖尿病的作用。 |
| 关键词: 糖尿病 罗汉果 作用机制 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of Momordica grosvenori in treatment of diabetes based on network pharmacology and molecular docking |
| SHI Wenxue,ZHANG Linpei,LU Hongyan |
| (College of Pharmacy,Guangxi Medical University,Nanning 530021,Guangxi,China) |
| Abstract: |
| Objective：To investigate the mechanism of action of Momordica grosvenori in the treatment of diabetes based on network pharmacology and molecular docking.Methods：TCMSP platform and Swiss Target Prediction database were used screen out the active components of Momordica grosvenori and their targets,and GeneCard,TTD,and OMIM databases were used to screen out the potential targets of diabetes.Cytoscape 3.7.2 software was used to construct a drug-active component-disease-target visualized network;STRING database was used to construct a protein-protein interaction network for key targets;Metascape database was used to perform gene ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis;Autodock4 and Pymol software were used to perform a molecular docking analysis and visualization of key active components and key targets.Results：A total of 18 effective constituents and 146 targets of diabetes were screened out.GO functional enrichment analysis obtained 572 GO terms,and KEGG pathway enrichment analysis obtained 167 signaling pathways.The results of molecular docking showed that the key active components such as beta-sitosterol,kaempferol,and Mogrol had relatively high affinity to the key targets including the proto-oncogene tyrosine protein kinase (SRC).Conclusion：Momordica grosvenori plays an anti-diabetic role through multiple targets and pathways,and its key active components exert a therapeutic effect on diabetes by regulating the signaling pathways such as AGE-RAGE,HIF-1,and PI3K-Akt via the targets including SRC,serine/threonine protein kinase 1,and mitogen-activated protein kinase 3. |
| Key words: diabetes Momordica grosvenori mechanism of action network pharmacology molecular docking |
