摘要
目的 基于数据挖掘分析中医药治疗咳嗽变异性哮喘(cough variant asthma,CVA)的用药规律,运用网络药理学探索核心药物组合治疗CVA的分子机制。方法 以中国知网数据库、维普期刊数据库、万方数据库、中国生物医学文献服务系统收录的相关文献为数据来源,使用IBM SPSS 25.0软件提取相关资料并建立数据库。基于Apriori算法进行关联规则分析,通过网络药理学探究核心药物组合作用机制并借助分子对接加以验证。结果 最终纳入817篇文献,筛选出方剂129首,涉及中药266味。关联规则分析得到药物组合4组,其中置信度和提升度最高的核心药物组合“地龙-苦杏仁-麻黄”治疗CVA的关键成分为金合欢素、牛蒡子苷元、亚油酸等,核心靶点为SRC原癌基因(SRC proto-oncogene,SRC)、信号转导与转录活化因子3(signal transduction and transcription activation factor 3, STAT3)、丝裂原活化蛋白激酶3(mitogen-activated protein kinases 3,MAPK3)等,主要通路为神经活性配体-受体相互作用、PI3K-Akt信号通路、钙信号通路等。分子对接结果表明网络药理学所预测核心靶点能与核心药组关键活性成分稳定结合。结论 中医药治疗CVA核心药物组合可通过多个活性成分,作用于多靶点、多通路发挥疗效,可为后续治疗CVA药物的应用及开发提供理论基础。
Objective To analyze the medication rules of traditional Chinese medicine treatment of cough variant asthma(CVA)based on data mining analysis,and to explore the molecular mechanism of core drug combination in the treatment of CVA by using network pharmacology. Methods The data comes from relevant documents collected by CNKI,VIP,Wanfang,and CBM Database. IBM SPSS 25.0 software was used to extract relevant information and establish a database. Apriori algorithm was used to analyze the association rules,and the mechanism of core drug groups was explored through network pharmacology and verified with the help of molecular docking. Results Finally, 817 literatures were included, and 129 prescriptions were selected, involving 266 traditional Chinese medicines. Four drug combinations were obtained by association rule analysis. Among them,the key components of the core drug combination "Pheretima-Armeniacae Semen Amarum-Ephedrae Herba" with the highest confidence and lift in the treatment of CVA are acacetin, arctigenin, linoleic acid, etc. The core targets are SRC protooncogene(SRC), signal transduction and transcription activation factor 3(STAT3), mitogen-activated protein kinases 3(MAPK3), etc. The main pathways are neuroactive ligand-receptor interaction, PI3K-Akt signaling pathway,calcium signaling pathway,etc. The results of molecular docking showed that the core targets predicted by network pharmacology could stably combine with the key active components of the core drug group. Conclusion The core drug combination of traditional Chinese medicine in the treatment of CVA can act on multiple targets and pathways through multiple active components. This study provides a theoretical basis for the application and development of subsequent drugs for the treatment of CVA.
作者
张树娟
张海龙
张东
王军
赵贵香
刘嘉敏
ZHANG Shujuan;ZHANG Hailong;ZHANG Dong;WANG Jun;ZHAO Guixiang;LIU Jiamin(Collaborative Innovation Center for Chinese Medicine and Respiratory Diseases co-constructed by Henan&Education Ministry of China,Henan Key Laboratory of Chinese Medicine for Respiratory Disease,Henan University of Chinese Medicine,Zhengzhou 450046 Henan,China;Department of Respiratory and Critical Care Medicine of the First Affiliated Hospital of Henan University of Chinese Medicine,Zhengzhou 450003 Henan,China)
出处
《中药新药与临床药理》
CAS
CSCD
北大核心
2022年第9期1218-1227,共10页
Traditional Chinese Drug Research and Clinical Pharmacology
基金
国家自然科学基金面上项目(81973781)
河南省中医药科学研究专项课题(2019ZY2001)
河南省特色骨干学科中医学学科建设项目(STG-ZYXKY-2020007)。
关键词
咳嗽变异性哮喘
数据挖掘
地龙
苦杏仁
麻黄
网络药理学
分子对接
作用机制
cough variant asthma
data mining
Pheretima
Armeniacae Semen Amarum
Ephedrae Herba
network pharmacology
molecular docking
mechanism of action
