天然产物研究与开发 ›› 2023, Vol. 35 ›› Issue (增刊1): 123-129.

• 数据研究 • 上一篇    下一篇

基于网络药理学和分子对接探究苦瓜治疗糖尿病肾病的作用机制

蔡小康1,周   洁2,余惠凡3*   

  1. 1湖北文理学院附属谷城医院肾病科;2湖北文理学院附属谷城医院药剂科,襄阳 441700;3湖北医药学院药学院 武当特色中药研究湖北省重点实验室,十堰 442000
  • 出版日期:2023-06-28 发布日期:2023-06-13
  • 基金资助:
    十堰市引导性科研项目(19Y13);湖北医药学院人才启动金项目(2018QDJZR29)

Study on the mechanism of Momordica charantia in treating diabetes nephropathy based on network pharmacology and molecular docking

CAI Xiao-kang1,ZHOU Jie2,YU Hui-fan3 *   

  1. 1Department of Nephropathy,Gucheng Hospital,Hubei University of Arts and Science;2Department of Pharmacy,Gucheng Hospital,Hubei University of Arts and Science,Xiangyang 441700,China;3Hubei Key Laboratory of Wudang Local Chinese Medicine Research,School of Pharmaceutical Sciences,Hubei University of Medicine,Shiyan 442000,China
  • Online:2023-06-28 Published:2023-06-13

摘要:

运用网络药理学和分子对接探究苦瓜(Momordica charantia L.)治疗糖尿病肾病(diabetic nephropathy,DN)的作用机制。利用Herb数据库获取苦瓜活性成分,SwissTargetPrediction数据库获取其所对应的靶标。通过GeneCards、OMIM、DisGENT数据库获取DN的治疗靶标。利用Venn在线工具获得苦瓜活性成分和DN的共同作用靶点。运用Cytoscape软件构建苦瓜、活性成分、靶标间相互作用网络关系图,并使用CytoHubba插件获得核心靶点以及核心子网络。应用Matescape数据库进行基因本体(gene ontology,GO)富集分析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。最终综合探析苦瓜活性成分、DN两者关系并作出预测。本研究从苦瓜中筛选出具有作用靶点的11个有效活性成分,其中β-谷甾醇、苦瓜酸、番茄红素等具有明显改善DN的作用。同时预测得到AKT1、TNF、IL6、TP53、VEGFA、JUN、CASP3等调控DN的可能作用靶标,介导AGE-RAGE信号通路,IL-17、TNF、PI3K-Akt、HIF-1信号通路等相关通路调控疾病,从而对抗DN的发生及进展。该文利用网络药理学探讨了苦瓜防治DN的多成分、多靶点、多通路的作用特点,并挖掘出苦瓜活性成分调控糖尿病肾病的可能靶点及信号转导机制。

关键词: 苦瓜, 糖尿病肾病, 苦瓜酸, 分子对接, 网络药理学

Abstract:

To explore the mechanism of Momordica charantia in the treatment of diabetes nephropathy (DN) by network pharmacology and molecular docking.The Herb database was used to obtain the active components of M. charantia,and the SwissTargetPrediction database was used to obtain corresponding targets.Get the therapeutic targets of diabetes nephropathy through GeneCards,OMIM and DisGENT databases.Venn online tool was used to obtain the common targets of the active ingredients of M. charantia and diabetes nephropathy.The interaction network diagram of M. charantia,active ingredients and targets is constructed by using the Cytoscape software,and the core target and core subnet are obtained by using the CytoHubba plug-in.The Matescape database was used for gene ontology (GO) enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis.Finally,the active ingredients of M. charantia,diabetes nephropathy,and the relationship between them were comprehensively analyzed and predicted.In this study,eleven active components with action targets were screened from M. charantia,among β-glutosterol,momordic acid and lycopene can obviously improve diabetes nephropathy.Simultaneously,the possible targets for regulating diabetes nephropathy,such as AKT1,TNF,IL6,TP53,VEGFA,JUN,CASP3,were predicted to mediate AGE-RAGE signaling pathway,IL-17,TNF,PI3K-Akt,HIF-1 signaling pathways to regulate diseases,so as to combat the occurrence and progress of diabetes nephropathy.The network pharmacology was used to explore the characteristics of multi-component,multi target and multi pathway of M. charantia in the prevention and treatment of diabetes nephropathy,and explore the possible targets and signal transduction mechanisms of the active components of M. charantia in the regulation of diabetes nephropathy.

Key words: Momordica charantia, diabetes nephropathy, momordic acid, molecular docking, network pharmacology

中图分类号:  R285