基于网络药理学和分子对接技术探讨杞菊地黄丸“异病同治”失眠、抑郁症和焦虑症的作用机制  

Mechanism of Qiju Dihuang Pill for insomnia,depression and anxiety disorder by“treating different diseases with same method”based on network pharmacology and molecular docking

作　　者：彭婷 桂光亚 张琦[1] Peng Ting;Gui Guangya;Zhang Qi(Jiangxi University of Chinese Medicine,Nanchang Jiangxi 330004)

机构地区：[1]江西中医药大学,江西南昌330004

出　　处：《山西中医药大学学报》2025年第2期201-208,共8页Journal of Shanxi University of Chinese Medicine

基　　金：中央引导地方科技发展资金项目(2022ZDH04094);赣江新区“揭榜挂帅”科技计划项目(Gjxq-jbgs2021001)。

摘　　要：目的:采用网络药理学和分子对接技术,探求杞菊地黄丸治疗失眠、抑郁症、焦虑症的药理作用机制。方法:利用中药系统药理学数据库与分析平台(TCMSP)筛选杞菊地黄丸的中药活性成分,在PubChem、SEA、SwissTargetPrediction、Batman-TCM数据库获取其作用靶点;在GeneCard、CTD数据库获取疾病作用靶点,利用UniProt数据库规范靶点名称。将杞菊地黄丸中药物与疾病的靶点取交集,导入STRING平台搭建蛋白互作(PPI)网络,使用基因本体(GO)功能及京都基因和基因组百科全书(KEGG)通路富集分析,采用Cytoscape 3.9.1软件构建“中药化学成分-作用靶点”网络图,最后进行分子对接试验。结果:检索到杞菊地黄丸中药物有效成分138个,作用靶点1682个,疾病靶点97个,交集靶点68个,其中CYP3A4、MAOA、NOS2、BAX、GSK3B、APP、VEGFA、IL-2、ABCB1、PARP1为核心疾病靶点,与活性成分山奈酚、槲皮素、7-O-甲基木犀草素-6-C-β糖苷等分子对接良好;GO功能富集分析得到生物过程586个、细胞组成77个、分子功能110个,其中生物过程包括对药物的反应、细胞对氮化合物的反应、细胞对有机氮化合物的反应等,细胞组成包括突触后膜、树突、树状突触等,分子功能包括神经递质受体活性、胺结合、5-羟色胺结合等;KEGG途径共292条,其中人类物种154条。GO功能及KEGG通路富集分析发现,杞菊地黄丸“异病同治”的传导通路主要涉及TNF信号通路、细胞凋亡、糖尿病并发症中的AGE-RAGE信号通路。结论:杞菊地黄丸通过一系列靶点和途径调节酶活性、激素水平、细胞凋亡,修复神经系统以及炎症,对失眠、抑郁症和焦虑症具有“异病同治”的作用。Objective:To explore the pharmacological mechanism of Qiju Dihuang Pill for insomnia,depression and anxiety disorder by network pharmacology and molecular docking technology.Methods:TCMSP database was used to screen the active components of Chinese herbs of Qiju Dihuang Pill.The targets of action were obtained in PubChem,SEA,SwissTargetPrediction and Batman-TCM.The disease targets were obtained from GeneCard and CTD databases.The UniProt database was used to standardize target names.The intersection of drugs and disease targets in Qiju Dihuang Pill was taken and imported into the STRING platform to build a PPI network,and GO function and KEGG pathway enrichment analysis were performed.The network diagram of“chemical components of Chinese herbs-action targets”was constructed by Cytoscape 3.9.1,and molecular docking test was conducted.Results:138 active components,1682 action targets,97 disease targets and 68 intersection targets were collected from Qiju Dihuang Pill.Among them,CYP3A4,MAOA,NOS2,BAX,GSK3B,APP,VEGFA,IL-2,ABCB1,and PARP1 were the core disease targets,which have good molecular docking with active components such as kaempferol,quercetin,7-O-methylluteine-6-C-βglycoside.GO functional enrichment analysis showed 586 biological processes,77 cell components and 110 molecular functions.Biological processes included the response to drugs,cellular response to nitrogen compounds,cellular response to organic nitrogen compounds,etc.Cell components included postsynaptic membranes,dendrites,and dendritic synapses.Molecular functions included neurotransmitter receptor activity,amine binding,5-hydroxytryptamine binding,etc.There were 292 KEGG pathways,of which 154 were human species.GO function and KEGG pathway enrichment analysis showed that the transduction pathway of Qiju Dihuang Pill for treating different diseases with same method mainly involved TNF signaling pathway,cell apoptosis and AGERAGE signaling pathway in diabetic complications.Conclusion:Qiju Dihuang Pill regulates enzyme activity,hormone level an

关 键 词：杞菊地黄丸 失眠 抑郁症 焦虑症 网络药理学 分子对接 

分 类 号：R749.4[医药卫生—神经病学与精神病学] R256.23[医药卫生—临床医学]