基于网络药理学与分子对接技术分析郁乐冲剂治疗抑郁症作用机制

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[中图分类号］R749.4 [文献标志码］A [文章编号]0256-7415（2025）22-0179-08

DOI：10.13457/j.cnki.jncm.2025.22.033

Analyzing the Mechanism of Yule Granules in Treating Depression Based on Network Pharmacology and Molecular Docking Technology

GUOHaihong1，ZHANG Guixiong1，LIN Songjun²，CAI Haobin 2 ，CAI Tiantian²

1.TheFourthClinicalMedicalColegeofGuangzhouUniversityofChinese Medicine，ShenzhenGuangdong518033，China；2.ShenzhenTraditional Chinese Medicine Hospital，Shenzhen Guangdong 518033，China

Abstract：Objective：To investigate the potential active components，key targets，and mechanism of YuleGranulesintreating depression，thus providingascientificbasisforclinicalapplication.Methods：Network pharmacologymethods were employed to identify depression-related targets from GeneCards，OMIM，and TTD databases，whichwere then cross-referenced with Yule Granules'active component targets.A "drug-active component-disease-target"network and protein-protein interaction （PPI） network were constructed using Cytoscape，with core activecomponentsandkey targets analyzed via CytoNCA.STRING database facilitated PPI network topologyanalysis，while GO functionalenrichmentand KEGG pathwayanalyses elucidated potential pathways.Moleculardocking validated binding activities between active componentsand core targets.Results：A total of 851 potential targetsof Yule Granules in treating depression were identified.Core active components included naringenin，coumaroyltyramine，1，4-epoxy-16- hydroxyeneicos-1，3，12，14，18-pentaene，and kaempferol，with key targets such as GAPDH，AKT1，TP53，and TNF.GO analysis revealed involvement in protein phosphorylation and inflammatory responses，while KEGG analysis indicated actions through neuroactive ligand-receptor interaction，MAPK，cAMP，and neurotrophin signaling pathways.Molecular docking demonstrated relatively low binding energy （ -5.4 to -10.3 kcal/mol），with strong binding afinity between core components and targets.Conclusion：Yule Granules likely exerts antidepressnt effects through multi-component，multi-target，and multi-pathway synergistic actions，involving neurotransmiter regulation，anti inflammatory responses，neuroprotection，and cellular metabolismmodulation，embodyingthe holisticand synergistic therapeutic principles of traditional Chinese medicine.

Keywords：Depression；Yule Granules；Network pharmacology；Molecular docking；Mechanism of action

抑郁症是一种常见的精神障碍疾病，临床表现为明显而持续的情绪低落、兴趣爱好减少或丧失，以及精力缺乏、疲惫感加重，部分患者可出现体重、食欲、睡眠等异常改变的躯体症状[，严重者甚至可出现认知功能减退和损害2。（剩余12184字）