基于数据挖掘及网络药理学探讨中医药治疗喘证的用药规律及作用机制

Analysis of the Regularity and Mechanism of the Chinese Medicine in the Treatment of Asthma Syndrome Based on Data Mining and Network Pharmacology

目的:基于数据挖掘和网络药理学分析中医药治疗喘证的组方配伍规律及药理机制。方法:以《中医方剂大辞典》中治疗喘证的中药复方为数据来源,建立方药数据库,利用IBM SPSS Modeler 18.0软件中的Apriori算法进行关联规则分析,借助SPSS Statistics 25.0软件进行系统聚类分析,总结喘证的用药规律及核心药物组合,运用网络药理学方法探究核心药物组合治疗喘证的作用机制。结果:共筛选出334首方剂,涉及267味中药,用药总频数为2242次,药物使用频次较高的前3味药分别是甘草、杏仁、陈皮,药味以辛、苦为主,药性以温、寒为主,归经以肺、脾二经为主,关联分析得到14组药对和药物组合,聚类分析得到4组药物组合;运用网络药理学方法获取核心药物组合有效成分59个、靶点信息938个、疾病基因3086个,得到药物疾病交集基因172个,核心靶点为MAPK3、RXRA、STA1、ESR1、MAPK1等,主要通路为AGE-RAGE、TNF、IL-17等。结论:核心药物组合是通过多成分、多靶点、多通路治疗喘证,为后续治疗喘证的新方组合及新药开发提供理论依据。

Objective:Based on data mining and network pharmacology,the compatibility rules and pharmacological mechanism of traditional Chinese medicine in treating asthma syndrome were analyzed.Methods:The traditional Chinese medicine prescriptions for treating asthma syndrome in the Dictionary of Traditional Chinese Medicine Prescriptions were used as the data source,and the recipe database was established.The Apriori algorithm in IBM SPSS Modeler 18.0 software was used for association rule analysis,and the SPSS Statistics 25.0 software was used for systematic cluster analysis.To summarize the medication rules and core drug combinations of asthmatic syndrome,and explore the mechanism of core drug combinations in the treatment of asthmatic syndrome by network pharmacology method.Results:Screened 334 prescriptions,involving 267 of TCM,made 2242 times,the total frequency of drug use frequency is higher in the first three ingredients:liquorice,almond,dried tangerine or orange peel,taste traditional Chinese medicine is given priority to with sheen,bitter,medicinal properties is given priority to with warm,cold,return the is given priority to with the lungs,spleen by 2,correlation analysis to get 14 groups drugs and drug combinations,cluster analysis for 4 groups of drug combination;The network pharmacology method was used to obtain 59 active components of the core drug combination,938 target information,3086 disease genes,and 172 drug-disease intersection genes.The core targets were MAPK3,RXRA,STA1,ESR1,MAPK1,and the main pathways were AGE-RAGE,TNF,IL-17,etc.Conclusion:The core drug combination is to treat asthmatic syndrome by multi-component,multi-target and multi-pathway,which provides a theoretical basis for the subsequent new prescription combination and new drug development for the treatment of asthmatic syndrome.