基于数据挖掘和网络药理学探讨前列腺增生用药规律及潜在作用机制  

Explore the Medication Rules and Potential Mechanism in the Treatment of Prostatic Hyperplasia Based on Data Mining and Network Pharmacology

作　　者：许伟 白明[1] 苗明三[1] Xu Wei;Bai Ming;Miao Mingsan(Henan University of Traditional Chinese Medicine,Zhengzhou 450046)

机构地区：[1]河南中医药大学,郑州450046

出　　处：《中药药理与临床》2021年第2期191-198,共8页Pharmacology and Clinics of Chinese Materia Medica

基　　金：国家国际合作基地(编号:2016-65);国家自然科学基金(编号:81173474);河南省产学研项目(编号:182107000029)。

摘　　要：目的:基于数据挖掘探讨中药治疗前列腺增生用药规律,挖掘出其常用药对,并借助网络药理学和分子对接技术探讨其常用药对干预前列腺增生的作用机制;方法:以中国知网(CNKI)为数据库,检索年限设定为2015年1月至2020年4月,以"前列腺增生"*"临床""中药"为主题词搜索治疗前列腺增生相关的中药复方,使用EXCEL软件建立中药复方治疗前列腺增生数据库,运用Apriori算法建立起关联模型,挖掘出数据库中隐藏的药物配伍规律,利用TCMSP、STRING、DAVID数据库和Cytoscape软件等分析药对疾病间相互作用关系及相关通路;最后使用分子对接技术对核心化学成分与关键靶点进行对接验证。结果:筛选出符合要求文献69篇,共涉及128味中药,得到置信度最高的药对茯苓-桂枝-泽泻,茯苓-桂枝-泽泻共得到的29个目标化合物,去重后共检索出358个靶点基因;前列腺增生检索出的相关靶基因去重后为1 011个,两者相关靶基因进行匹配得到共同靶基因108个,通过Cytoscape软件得出IL-6、MAPK3、PTGS2等靶点在茯苓-桂枝-泽泻治疗前列腺增生中具有重要地位和意义;靶点通路富集结果分析得到茯苓-桂枝-泽泻治疗前列腺增生的作用机制主要涉及对蛋白激酶的正调控、蛋白质自身磷酸化、ATP结合、锌离子结合、金属肽酶活性等生物功能,调节癌症相关通路和蛋白聚糖,PI3K-AKT信号通路,RAS信号通路等多条通路从而发挥治疗前列腺增生的作用。分子对接结果显示药对核心化学成分与BPH关键靶点具有良好的亲和力。结论:分析得出茯苓-桂枝-泽泻药对配伍治疗前列腺增生的重要性及作用机制,为中医药治疗前列腺增生提供了新方法和新思路。Objective: To screen the common drug pairs and explore the medication rules of traditional Chinese medicine in the treatment of prostatic hyperplasia based on data mining, and research the mechanisms of drug pairs on intervening prostatic hyperplasia by network pharmacology and molecular docking technology. Methods: In CNKI database, "SU ’prostatic hyperplasia’ * ’clinical’-FT ’ ’Chinese traditional medicine" were taken as keywords to search the related Chinese medicine compound treating prostatic hyperplasia from January 2015 to April 2020, then EXCEL software was used to establish a database of traditional Chinese medicine compound for the treatment of prostate hyperplasia. Apriori algorithm was used to establish the correlation model, in order to explore the potential medication rules. TCMSP, STRING, DAVID database and Cytoscape software were used to analyze the drug interactions and related signaling pathways. Then molecular docking technology was used to verify the correlation between the core chemical components and the key targets. Results: A total of 128 traditional Chinese medicines were involved in 69 papers that met the requirements, 29 target drug pairs with the highest confidence were obtained like poria cocos-guizhi-alisma and poria cocos-guizhi-alisma. A total of 358 target genes were retrieved after duplicates removed, while prostate hyperplasia related 1011 target genes were retrieved after duplicates removed, then 108 common target genes were obtained by matching the two related target genes. According to Cytoscape software, targets like IL6, MAPK3, PTGS2 were found important in the treatment of prostate hyperplasia by poria cocos, cassia cassia-alismata. Target pathway enrichment analysis result showed that the mechanisms of poria cocos-cassia twig-alisma treating prostatic hyperplasia were mainly related to biological functions like up-regulating protein kinases, protein self-phosphorylation, ATP combination, zinc ions combination, metal peptide enzyme activity. It also regulated m

关 键 词：中药 数据挖掘 前列腺增生 网络药理学 关联规则 分子对接 

分 类 号：R285[医药卫生—中药学]