基于网络药理学及分子对接技术分析三仁汤治疗抑郁症作用机制
DOI:
CSTR:
作者:
作者单位:

作者简介:

通讯作者:

中图分类号:

R285.5

基金项目:

深圳市“医疗卫生三名工程”项目资助(SZZYSM202111011)


Analysis of the Mechanism of Action of Sanren Decoction in Treating Depression Based on Network Pharmacology and Molecular Docking Technology
Author:
Affiliation:

Fund Project:

  • 摘要
  • |
  • 图/表
  • |
  • 访问统计
  • |
  • 参考文献
  • |
  • 相似文献
  • |
  • 引证文献
  • |
  • 资源附件
  • |
  • 文章评论
    摘要:

    目的:通过网络药理学及分子对接技术分析三仁汤治疗抑郁症作用机制。方法:利用本草组 鉴(Herb) 数据库及BATMAN-TCM数据库检索三仁汤活性成分及靶点;利用人类基因数据库(GeneCards)、 在线人类孟德尔遗传(OMIM) 数据库、药物靶标数据库(TTD) 查找疾病靶点;借助STRING 数据库及 Cytoscape3.91软件构建药物活性成分-交集靶点网络,进行蛋白质相互作用(PPI) 网络分析;再利用DAVID 数据库对交集靶点进行基因本体(GO) 功能及京都基因与基因组百科全书(KEGG) 通路富集分析;利用 cytoscape3.9.1筛选出核心靶点;并对主要活性成分及核心靶点进行分子对接验证。结果:筛选得到三仁汤有效 成分189个,对应靶点902个,与抑郁症疾病靶点17 988个取交集,获得交集靶点146个。获得主要活性成分 为前通脱木甙配基A2、雪松醇和肉豆蔻醚等。核心靶点包括甘油醛-3-磷酸脱氢酶(GAPDH)、丝氨酸/苏氨酸 蛋白激酶1(AKT1)、肿瘤坏死因子(TNF)、表皮生长因子受体(ESFR) 和连环蛋白β1(CTNNB1) 等。GO 分析提示主要参与蛋白质磷酸化、磷酸化等生物学过程。KEGG分析主要涉及神经活性配体-受体相互作用、 癌症相关通路和环磷酸腺苷(cAMP) 信号通路等。分子对接验证显示主要活性成分与关键靶点分子对接结合 能均<-5 kcal/mol。结论:三仁汤可能通过前通脱木甙配基A2、雪松醇和内豆蔻醚,作用于GAPDH、AKT1、 TNF、EGFR、CTNNB1等靶点,调控癌症相关通路、cAMP信号通路等治疗抑郁症。

    Abstract:

    Abstract:Objective:To analyze the mechanism of action of Sanren Decoction in treating depression by network pharmacology and molecular docking technology. Methods: The active ingredients and targets of Sanren Decoction were retrieved from the HERB database and BATMAN-TCM database. Disease targets were searched in the GeneCards database,Online Mendelian Inheritance in Man (OMIM) database,and Therapeutic Target Database (TTD). With the help of the STRING database and Cytoscape 3.9.1 software,the medicine active ingredient-intersection target network was constructed,and protein-protein interaction (PPI) network analysis was conducted. The DAVID database was used to perform Gene Ontology( GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes( KEGG) pathway enrichment analysis on the intersection targets. Cytoscape 3.9.1 was applied to screen core targets, and molecular docking verification was carried out for the main active ingredients and core targets. Results: A total of 189 active ingredients of Sanren Decoction were screened out, corresponding to 902 targets. By taking the intersection with 17 988 depression-related disease targets, 146 intersection targets were obtained. The main active ingredients included propapyriogenin A2,cedrol,and myristicin. The core targets included glyceraldehyde-3-phosphate dehydrogenase (GAPDH),AKT serine/threonine-protein kinase (AKT1),tumor necrosis factor (TNF),epidermal growth factor receptor( EGFR),and catenin beta 1( CTNNB1). GO analysis suggested that the intersection targets were mainly involved in biological processes such as protein phosphorylation and phosphorylation. KEGG analysis showed that the relevant signaling pathways mainly included neuroactive ligand-receptor interaction,cancer-related pathways,and cAMP signaling pathway. Molecular docking verification indicated that the binding energies of the main active ingredients to the key targets were all lower than -5 kcal/mol. Conclusion:Sanren Decoction may treat depression by regulating cancer-related pathways,cAMP signaling pathway,and other related pathways through propapyriogenin A2, cedrol,and myristicin acting on targets such as GAPDH,AKT1,TNF,EGFR,and CTNNB1.

    参考文献
    相似文献
    引证文献
引用本文

张贵雄,郭海虹,卢瑶,高正华,康雪笛,万海萍,林松俊.基于网络药理学及分子对接技术分析三仁汤治疗抑郁症作用机制[J].新中医,2026,58(1):168-174

复制
分享
相关视频

文章指标
  • 点击次数:
  • 下载次数:
  • HTML阅读次数:
  • 引用次数:
历史
  • 收稿日期:
  • 最后修改日期:
  • 录用日期:
  • 在线发布日期: 2026-01-12
  • 出版日期:
文章二维码