摘要
目的:运用数据挖掘及网络药理学方法,分析治疗帕金森病中药复方专利的用药规律与机制,为帕金森病临床用药、新药研发提供思路。方法:通过检索专利公布公告官网建库至2022年5月31日治疗帕金森病的中药复方。建立Excel表,对纳入的复方进行术语规范化后,采用Excel及IBM SPSS Modeler 18.0进行频数统计等数据挖掘。并应用网络药理学方法研究高频药物,利用TCMSP与TCM database@Taiwan获取药物成分并运用TCMSP平台与Swiss ADME筛选,通过UniProt与Swiss Target Prediction平台收集靶点;从GeneCards等数据库获取帕金森病疾病靶点,取药物-疾病靶点交集,使用Cytoscape3.8软件制作“药物-疾病-靶点”网络,运用Metascapep平台进行GO、KEGG富集分析。结果:共纳入113项中药专利复方,涉及药物394味,其中天麻、当归、白芍等药物最常用;药物四气以温、寒为主;五味以甘、苦、辛为主;归经以肝、心、脾为主;关联规则分析共得27组药物组合;聚类分析可将药物分成8类。获得药物靶点442个,疾病靶点4 884个,药物-疾病公共靶点324个。结论:研究发现治疗帕金森病中药专利复方等药物药性以温、寒为主,药味以甘、苦为主,归经以肝、心、脾经为主,治法主要为固护肝肾,滋补气血,熄风疏络。核心成分有4-乙氧基甲基苯基-4’-羟基、棕榈酸、木犀草素等;主要作用靶点有PTGS2、PTGS1、SCN5A、等;参与PI3K-Akt、cAMP等信号通路。研发相关复方可根据临床症候,适当化裁,灵活使用此类药物,以期获得最佳疗效。
Objective:To analyze the dosing pattern and mechanism of herbal compound patents for the treatment of Parkinson’s disease using data mining and network pharmacology methods,and to provide ideas for the clinical use of Parkinson’s disease and new drug development. Methods:The Chinese herbal medicine compound prescriptions for Parkinson’s disease built up to May 31,2022 by searching the official website of patent publication notice. An Excel table was built,and after term normalization of the included compound prescriptions,Excel and IBM SPSS Modeler 18.0 were used for data mining such as frequency statistics. We also applied network pharmacology methods to study HF drugs,using TCMSP and TCM database@Taiwan to obtain drug components and using TCMSP platform and Swiss ADME screening,collecting targets through UniProt and Swiss Target Prediction platform;obtaining PD disease from databases such as GeneCards The targets were obtained from GeneCards and other databases,drug-disease target intersections were obtained,and "drug-disease-target" networks were created using Cytoscape 3.8software,and GO and KEGG enrichment analyses were performed using the Metascapep platform. Results:A total of 113 patented Chinese medicine recipes were included,involving 394 drugs,among which Tianma,Angelica and Bai Shao were the most commonly used drugs. A total of 442 drug targets,4 884 disease targets and 324 drug-disease common targets were obtained. Conclusion:The study found that the medicinal properties of the patented compound Chinese medicine for Parkinson’s disease are mainly warm and cold,the taste of the medicine is mainly sweet and bitter,the normalizing meridian is mainly liver,heart and spleen meridians,and the treatment method is mainly to strengthen the liver and kidney,nourish the qi and blood,and extinguish the wind and dredge the luo. The core ingredients include 4-ethoxymethylphenyl-4’-hydroxyl,palmitic acid,lignan,etc.;the main action targets are PTGS2,PTGS1,SCN5A,etc.;involved in PI3K-Akt,cAMP and other signaling pathways. The development of relevant compound can be based on clinical symptoms,appropriate tailoring,and flexible use of such drugs,in order to obtain the best therapeutic effect.
作者
潘宇
王亮
王鹏
杨明会
PAN Yu;WANG Liang;WANG Peng;YANG Ming-hui(Department of Traditional Chinese Medicine,Chinese PLA General Hospital,Beijing 100048,China)
出处
《海南医学院学报》
CAS
2022年第24期1896-1903,共8页
Journal of Hainan Medical University
基金
国家自然科学基金重点项目(82130117)
军队保健专项科研重点项目(20BJZ41)。
关键词
PD
专利
数据挖掘
网络药理学
用药规律
Parkinson’s disease
Patents
Data mining
Network pharmacology
Medication regimen
作者简介
潘宇,E-mail:realpanyu@163.com;通讯作者:杨明会,教授,博士生导师,E-mail:ymh9651@sina.com。
