基于网络药理学和分子对接技术探讨酸枣仁汤治疗失眠伴抑郁“异病同治”的作用机制  

Exploration of the Mechanism of Suanzaoren Decoction in Treating Insomnia and Depression with the Concept of“Different Diseases with the Same Treatment”Based on Network Pharmacology and molecular Docking Technology

作　　者：吴佳凝 靳子言 高金铭 张荣荣 储雯佳 董宏利 WU Jianing;JIN Ziyan;GAO Jinming(Suzhou TCM Hospital Affiliated to Nanjing University of Chinese Medicine,Suzhou City,Jiangsu Province 215000)

机构地区：[1]南京中医药大学附属苏州市中医医院,江苏省苏州市215000

出　　处：《医学理论与实践》2025年第3期378-383,394,共7页The Journal of Medical Theory and Practice

基　　金：江苏省中医药管理局项目(YB2020056);南京中医药大学自然科学基金项目(XZR2020035);姑苏卫生重点人才项目(GSWS2020080)。

摘　　要：目的:运用网络药理学方法和分子对接技术探讨酸枣仁汤治疗失眠伴抑郁“异病同治”的作用机制。方法:运用TCMSP数据库筛选酸枣仁汤的活性成分,通过Pubchem及SEA数据库获得对应靶点,Uniprot数据库校正靶点名称。从DisGNET、GeneCards数据库获取失眠和抑郁相关靶点,取交集靶点,构建“药物—活性成分—靶点”网络。运用STRING及Cytoscape建立蛋白间相互作用网络并筛选关键靶点,利用David数据库进行GO功能分析和KEGG通路富集分析。通过AutoDockTools进行分子对接预测。结果:筛选后得到酸枣仁汤活性成分138个,作用靶点872个;与失眠及抑郁相关且排序靠前的通路有血清素突触通路、神经活性配体—受体相互作用、多巴胺能神经突触的信号通路等,主要与炎症反应、化学突触传递等生物学过程相关。本方中主要活性成分Cis-N-阿魏酰酪胺、灰绿曲霉酰胺、甘草黄酮与白细胞介素-1β、过氧化物酶体增殖物激活受体-γ结合较好。结论:基于网络药理学的方法发现酸枣仁汤通过多靶点、多途径治疗失眠与抑郁,且多个成分与靶点的对接表现出良好活性;可能通过抗炎、抑制神经元凋亡、调节化学突触递质传递等发挥“异病同治”作用。Objective:To explore the mechanism of Suanzaoren decoction in treating insomnia and depression with the concept of“different diseases with the same treatment”by network pharmacology and molecular docking technology.Methods:The active ingredients of Suanzaoren decoction were screened by TCMSP database,and the corresponding targets were obtained by Pubchem and SEA databases,and the names of the targets were corrected by Uniprot database.The disease targets related to insomnia and depression were obtained from DisGNET and GeneCards databases,and the intersection targets were selected to construct the“drug-active ingredient-target”network.The protein-protein interaction network was established by STRING and Cytoscape,and the key targets were screened by degree value.The David database was used for GO function analysis and KEGG pathway enrichment analysis.Molecular docking prediction was performed by AutoDockTools.Results:After screening,138 active ingredients and 872 targets of Suanzaoren decoction were obtained.The top ranked pathways related to insomnia and depression include the serotonergic synapse,neuroactive ligand-receptor interaction,and dopaminergic synaptic signaling pathway,which are mainly related to biological processes such as inflammatory response and chemical synaptic transmission.The main active ingredients in this recipe,(Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide,asperglaucide and Glypallichalcone,bind well to IL-1βand PPARG.Conclusion:Suanzaoren decoction can treat insomnia and depression through multiple targets and pathways,and the docking of multiple components and targets shows good activity.It may play a role of“different diseases with the same treatment”by anti-inflammation,inhibiting neuronal apoptosis,and regulating chemical synaptic transmission.

关 键 词：酸枣仁汤 网络药理学 分子对接 失眠 抑郁 

分 类 号：R9[医药卫生—药学]