摘要
目的:探讨解郁调神汤治疗广泛性焦虑症的活性成分和药效机制。方法:通过中药系统药理学数据库与分析平台(TCMSP)预测并筛选出解郁调神汤主要生物活性成分及其靶点,用GeneCards、TTD、OMIM等数据库检索并筛选出广泛性焦虑症的靶点。借助STRING数据库、Cytoscape软件构建交集靶点蛋白质–蛋白质相互作用网络图,用DAVID数据库开展基因本体论(GO)和京都基因与基因组百科全书(KEGG)通路富集分析。将获取的核心靶点与药物关键活性成分导入Autodock进行分子对接验证。结果:获得解郁调神汤药物活性成分112个,与广泛性焦虑症有关的基因有241个,其中香附内酯乙酸酯、甘草查尔酮A、槲皮素等是解郁调神汤的有效成分,核心靶点基因包括L–型电压依赖性钙离子通道α1C亚基(Calcium Channel,Voltage Dependent,L–Type,Alpha 1C Subunit,CACNA1C)、L–型电压依赖性钙离子通道α2D1亚基(Calcium Channel,Voltage Dependent,L–Type,Alpha 2D1 Subunit,CACNA2D1)、L–型电压依赖性钙离子通道α1C亚基(Calcium Channel,Voltage Dependent,L–Type,Alpha 1D Subunit,CACNA1D)、肿瘤蛋白p53(Tumor Protein p53,TP53)等。KEGG通路富集分析结果表明,主要富集通路涵盖神经活性配体–受体相互作用通路、丝裂原活化蛋白激酶(Mitogen–Activated Protein Kinase,MAPK)信号通路、5–羟色胺能突触等。分子对接结果提示,核心靶点基因与有效成分均有较好的结合力。结论:解郁调神汤可通过多靶点、多通路发挥治疗广泛性焦虑症的作用,为后续相关研究提供参考。
Objective:To investigate the active components and pharmacological mechanisms of the Jieyu Tiaoshen decoction(解郁调神汤)in the treatment of generalized anxiety disorder.Methods:The main bioactive components of the Jieyu Tiaoshen decoction and their targets were predicted and screened by the traditional Chinese medicine systems pharmacology database and analysis platform.Targets related to generalized anxiety disorder were retrieved and screened from databases such as GeneCards,TTD,and OMIM.The STRING database and Cytoscape software were employed to construct a protein-protein interaction network of intersecting targets.GO and KEGG enrichment analyses were performed by the DAVID database.Core target genes and key active components were imported into Autodock for molecular docking validation.Results:A total of 112 active components of the Jieyu Tiaoshen decoction,and 241 genes associated with generalized anxiety disorder were obtained.Effective components of the Jieyu Tiaoshen decoction included cyperotundone acetate,licochalcone A,and quercetin,while core target genes comprised CACNA1C,CACNA2D1,CACNA1D,and TP53.The KEGG analysis results revealed that the primary enriched pathways involved neuroactive ligand-receptor interaction,MAPK signaling pathway,and serotonergic synapse.Molecular docking results indicated strong binding affinities between core target genes and active components.Conclusion:The Jieyu Tiaoshen decoction exerts therapeutic effects on generalized anxiety disorder through multiple targets and multiple pathways,providing a reference for subsequent relevant research.
出处
《中医临床研究》
2025年第27期92-98,共7页
Clinical Journal Of Chinese Medicine
基金
吉林省中医药管理局课题(2024238):辩证行为疗法联合柴胡舒肝散加减治疗郁病肝气郁结(焦虑障碍)的临床研究。
关键词
解郁调神汤
广泛性焦虑症
网络药理学
分子对接
The Jieyu Tiaoshen decoction
Generalized anxiety disorder
Network pharmacology
Molecular docking
