摘要
目的基于数据挖掘和网络药理学方法,探究贾跃进老中医临床治疗抑郁症的核心组方及其作用机制。方法收集2016年1月1日-2020年7月1日贾跃进门诊中药治疗抑郁症的处方,使用古今医案云平台(V 2.2.3)进行药物频次、属性统计及关联、聚类和复杂网络分析,得出核心组方。再将核心组方运用TCMSP、GEO等数据库得到各药物有效成分的靶点与疾病靶点,并取交集,利用Cytoscape V 3.8.0及其插件构建疾病-药物-成分-靶点网络及蛋白相互作用网络,并进行GO和KEGG通路富集分析,选取关键成分和关键靶点进行分子对接。结果数据挖掘纳入验案120则,方剂148首,涉及中药138味。药性以平、温、寒为多,药味以甘、辛、苦为主,药物主要归脾、肺、肝经。通过药物关联、聚类和复杂网络分析综合得出8味药物的核心组方。共获得核心组方有效成分80种,相关靶点772个,交集靶点542个,关键成分有去氢齿孔酸、α-香树脂醇等,关键靶点有AKT1、ESR1等;主要作用于代谢过程、免疫系统过程和信号过程;涉及神经活性配体-受体相互作用、NF-κB信号通路等;关键成分和关键靶点分子对接显示其多可形成稳定结合。结论得出贾跃进中药治疗抑郁症的用药规律,以及核心组方相关多成分、多靶点、多通路作用机制,为临床使用和进一步研究提供参考。
Objective To explore the medication rules and mechanisms of traditional Chinese medical doctor Jia Yuejin for treating depressive disorder based on data mining and network pharmacology.Methods The medication rules and core prescription were analyzed with the statistics of frequency,properties and analysis of correlation,clustering,and complex network of prescriptions for the treatment of depressive disorder from the outpatient service of Professor Jia in the past five years,from 1st Jan.2016 to 1st Jul.2020,with the help of the Ancient and Modern Medical Records Cloud Platform(V 2.2.3).Then we obtained the targets of effective ingredients of each drug of the core prescription and disease targets and took the intersection by virtue of TCMSP,GEO and other databases.We used Cytoscape V 3.8.0 to construct disease-drug-ingredient-target and protein-protein interaction networks,and performed GO and KEGG pathway enrichment analysis,and finally selected the key effective ingredients and key targets to apply software of Vina to molecularly dock.Results A total of 120 medical records,148 prescriptions and 138 drugs were obtained.The most common drug properties were gentle,warm,cold.The main tastes were sweet,pungent and bitter,and the meridians were concentrated in two spleen and liver meridians.The core prescription of 8 drugs was obtained through analysis of drug correlation,clustering and complex network.A total of 80 effective ingredients,772 related targets,542 intersectional genes of the core prescription were obtained,the key ingredients included dehydroeburicoic acid,α-Amyrin,and the key targets included AKT1,ESR1.The GO enrichment analysis showed metabolic process,immune system process,signaling process,and the KEGG pathway enrichment analysis showed neuroactive ligand-receptor interaction,NF-κB signaling pathway.The results of molecular docking of key ingredients and key targets showed them stable binding.Conclusion The rules of Chinese Medicines of Professor Jia for depressive disorders show the related multi-ingredient,multi-target,multi-pathway mechanisms,which can provide references for clinical use and further research.
作者
刘毅
王瑞敏
李菲
贾跃进
Liu Yi;Wang Ruimin;Li Fei;Jia Yuejin(The Second Clinical College,Shanxi University of Chinese Medicine,Taiyuan 030024,China;Department of Science and Education,Hospital of Shanxi University of Chinese Medicine,Taiyuan 030024,China;Preventive Treatment Center,Hospital of Shanxi University of Chinese Medicine,Taiyuan 030024,China)
出处
《国际中医中药杂志》
2022年第4期428-437,共10页
International Journal of Traditional Chinese Medicine
基金
山西省科技厅应用基础研究项目(201801D221430)
山西省中医药管理局科研课题(2019ZYYC025)
国家中医药管理局全国老中医药专家传承工作室建设项目-贾跃进老中医药专家传承工作室(M020011190M)。
关键词
抑郁症
数据挖掘
网络药理学
分子对接
作用机制
贾跃进
古今医案云平台
Depression
Data mining
Network pharmacology
Molecular docking
Mechanism
Jia Yuejin
Ancient and Modern Medical Records Cloud Platform
