基于数据挖掘和网络药理学的中成药治疗胸痹配伍规律及潜在机制研究  

Data Mining and Network Pharmacology Analysis on Compatibility and Potential Mechanism of Proprietary Chinese Medicine in the Treatment of Thoracic Arthralgia

作　　者：姚昆鹏 刘起立 张道平 石静 蔡子杰 蔡虎志[2] 陈新宇[1,2] Yao Kunpeng;Liu Qili;Zhang Daoping;Shi Jing;Cai Zijie;Cai Huzhi;Chen Xinyu(Hunan University of Chinese Medicine,Changsha 410208,China;The First Hospital Affiliated to Hunan University of Chinese Medicine,Changsha 410007,China)

机构地区：[1]湖南中医药大学,湖南长沙410208 [2]湖南中医药大学第一附属医院,湖南长沙410007

出　　处：《亚太传统医药》2022年第7期140-146,共7页Asia-Pacific Traditional Medicine

基　　金：国家自然科学基金(81704061、81173213);湖南省科学技术厅重点领域研发计划(2019SK2321);湖南省科技人才托举工程项目(2020TJ-N01);湖南省发改委创新引导专项(湘发改投资2019-412号);湖南省中医药管理局心病“四时调阳”重点研究室建设专项(湘中医药函[2020]51号);湖南省中医学“双一流”学科建设项目(湘教通[2018]469号)。

摘　　要：目的:基于数据挖掘及网络药理学对2020年版《中国药典》(一部)中治疗胸痹的中成药进行分析,探索中成药治疗胸痹的组方规律及核心药物的作用机制。方法:对符合纳入标准的中成药进行频数分析、关联分析、聚类分析,并应用网络药理学方法对治疗胸痹的高频药物进行靶点预测、生物学功能及通路富集分析。结果:共纳入中成药处方81个,涉及中药141味,归经以肝、心经居多;药物四气以温为主;五味以苦为主;药味分类以补虚药居多;获得核心药物组合4条。根据网络药理学预测出核心药物丹参、川芎、三七的有效成分77个,作用靶点242个,GO分析共获得BP(生物过程)2 509个,CC(细胞组分)112个,MF(分子功能)238个,其机制可能涉及PI3K-Akt、TNF、IL-I7、HIF-1等信号通路及PTGS2、ADRB2、NCOA1、Bcl-2、ERK、p53等靶点基因。结论:中成药治疗胸痹以扶正补虚治法为组方首选,兼顾活血、清热、理气。数据挖掘和网络药理学分析得出组方用药规律及相关信号通路与治疗靶点,为治疗胸痹的新方组合和新药开发提供参考。Objective:Based on data mining and network pharmacology technology,this paper analyzes the Chinese patent medicine for thoracic obstruction in 2020 Chinese Pharmacopoeia(Part I),and explores the prescription rules of Chinese patent medicine for thoracic obstruction and the mechanism of core drugs.Methods:Frequency analysis,correlation analysis and cluster analysis were performed on Chinese patent medicines that met the inclusion criteria,and network pharmacology was applied to target prediction,biological function and pathway enrichment analysis of high-frequency drugs for the treatment of thoracic obstruction.Results:A total of 81 prescriptions of proprietary Chinese medicines were included,involving 141 traditional Chinese medicines,most of which were liver and heart meridians;the four qi of drugs were mainly warm;the five flavors were mainly bitter;the classification of medicine flavor was mainly deficiency-tonifying drugs,and 4 core drug combinations were obtained.According to the network pharmacology,77 active components and 242 targets of the core drugs Salvia miltiorrhiza,Ligusticum chuanxiong and Panax notoginseng were predicted.The mechanism may be related to PI3K-Akt signal pathway and play an important role by regulating target genes such as Bcl-2,ERK and p53.Conclusion:Chinese patent medicine treatment of chest impediment to righting tonic therapy as the preferred prescription,taking into account blood,heat,Qi.The prescription medication rules and related signaling pathways and therapeutic targets obtained from data mining and network pharmacology analysis provide ideas for new prescription combinations and new drug development for the treatment of chest impediment.

关 键 词：胸痹 冠心病 数据挖掘 组方规律 网络药理学 丹参 

分 类 号：R256.22[医药卫生—中医内科学]