湖北农业科学 ›› 2023, Vol. 62 ›› Issue (8): 120-126.doi: 10.14088/j.cnki.issn0439-8114.2023.08.019

• 园艺·特产 • 上一篇    下一篇

基于网络药理学及分子对接技术分析核桃治疗高尿酸血症的作用机制

徐冬月, 赵声兰   

  1. 云南中医药大学中药学院,昆明 650500
  • 收稿日期:2022-05-23 出版日期:2023-08-25 发布日期:2023-09-22
  • 通讯作者: 赵声兰(1962-),女,教授,硕士研究生导师,主要从事药食资源研究与开发利用工作,(电子信箱)13330431529@163.com。
  • 作者简介:徐冬月(1997-),女,吉林镇赉人,在读硕士研究生,研究方向为中药资源开发与利用研究,(电话)13116229311(电子信箱)18721673507@163.com。
  • 基金资助:
    国家自然科学基金项目(81760735); 云南省生物医药重大专项(202002AA100005; 202102AE09003); 云南省科技厅-云南中医药大学联合专项重点项目(2019FF002-006)

Analysis of the mechanism of walnut therapy for hyperuricemia based on network pharmacology and molecular docking technology

XU Dong-yue, ZHAO Sheng-lan   

  1. College of Traditional Chinese Medicine, Yunnan University of Chinese Medicine,Kunming 650500,China
  • Received:2022-05-23 Online:2023-08-25 Published:2023-09-22

摘要: 基于网络药理学方法及分子对接技术分析核桃(Juglans regia L.)治疗高尿酸血症(Hyperuricemia, HUA)的作用机制,利用中药系统药理数据库和分析平台(Traditional Chinese medicine systems pharmacology database and analysis platform,TCMSP)预测核桃活性成分的作用靶点,运用OMIM、GeneCards和DrugBank数据库检索HUA疾病靶点。使用Cytoscape 3.7.2软件进行作用靶点-活性成分-疾病网络绘制,利用Metascape平台进行富集分析。使用AutoDockTools 1.5.6软件进行分子对接,对活性成分及重要靶点的结合度进行验证。结果表明,共筛选出核桃活性成分5种,与HUA有交集靶点16个;富集程度较高的信号通路包括癌症信号通路、化学致癌-受体激活信号通路、糖尿病并发症中的晚期糖基化产物-晚期糖基化终末产物受体信号通路和卡波西肉瘤相关疱疹病毒信号通路;通过分子对接验证试验可知,核桃中主要活性成分与重要靶点结合紧密。

关键词: 高尿酸血症, 网络药理学, 分子对接技术, 核桃(Juglans regia L.), 鞣花酸, 作用机制

Abstract: Based on network pharmacology and molecular docking, the mechanism of action of Juglans regia L. in the treatment of Hyperuricemia (HUA) was analyzed, and the Traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) was used to predict the target of active components in walnut. OMIM, GeneCards and DrugBank databases were used to search for HUA disease targets. Cytoscape 3.7.2 software was used for target-active ingredient-disease network mapping, and Metascape platform was used for enrichment analysis. Molecular docking was performed using AutoDockTools 1.5.6 software to verify the binding degree of active ingredients and important targets. The results showed that 5 active compounds of walnut were selected, and 16 common targets of walnut and HUA were identified. The highly enriched signaling pathways include cancer signaling pathway, chemical carcinogenic-receptor activation signaling pathway, advanced glycation endproducts receptor for advanced glycation end products signaling pathway in diabetic complications, and Kaposi sarcoma-associated herpes virus signaling pathway. The molecular docking test showed that the main active compounds in the walnut were closely bound to important targets.

Key words: hyperuricemia, network pharmacology, molecular docking technology, walnut(Juglans regia L.), ellagic acid, mechanism

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