摘要
基于数据挖掘及网络药理学方法,探究中药治疗便秘的用药规律并分析核心中药的作用机制。通过检索中国知网、维普数据库、万方数据库中有关中药复方治疗便秘的文献,筛选符合要求的文献并提取数据,对中药复方的药物频次、关联规则及聚类进行分析。基于中药系统药理学数据库与分析平台获取核心药物的化学成分及靶点,通过GeneCards、OMIM、TTD等数据库获取疾病靶点,借助Venny平台获取潜在靶点,采用STRING数据库、DAVID数据库进行相关机制分析。基于AutoDock软件进行分子对接。结果表明:筛选出复方85个;使用频次在10以上的有25味药,其中白术的使用频率最高;关联规则挖掘出白术-黄芪、白术-黄芪-当归分别是支持度最高的组合;聚类分析可将药物分为5类;挖掘出核心中药白术、当归、枳实和火麻仁。网络药理分析显示,核心中药治疗便秘的机制是化学成分作用于AKT1等靶点,进而调节癌症通路、磷脂酰肌醇3激酶-蛋白激酶B信号通路、p53信号通路等发挥治疗作用。该研究为中医药治疗便秘的用药规律提供了理论基础,为治疗便秘的中药复方的开发与发展提供了思路。
The mechanism of traditional Chinese medicine(TCM) for treating constipation was clarified based on data mining methods and network pharmacology. Articles related to the treatment of constipation with TCM compound prescriptions were retrieved from CNKI, VIP, and WANFANG databases. The articles that met the requirements were selected, and the drug frequency, association rules, and cluster analysis of TCM compound prescriptions were analyzed. The chemical compounds and targets of core TCM were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, and the disease targets were retrieved from GeneCards, OMIM, and TTD databases. The potential targets were screened using the Venny platform. The STRING and DAVID databases were used to analyze the potential mechanism. Molecular docking was done using AutoDock software. The results indicated that 85 TCM compound prescriptions were selected. Twenty-five medicine types were used more than 10 times, among which Atractylodis Macrocephalae Rhizoma had the highest frequency of use. The result of association rules showed that Atractylodis Macrocephalae Rhizoma-Astragali Radix and Atractylodis Macrocephalae Rhizoma-Astragali Radix-Angelicae Sinensis Radix were the most supported combinations. The medicines were divided into five categories by cluster analysis. Atractylodis Macrocephalae Rhizoma, Angelicae Sinensis Radix, Aurantii Fructus Immaturus, and Cannabis Fructus were regarded as core medicines. Network pharmacology analysis findings revealed that the mechanism of core TCM for treating constipation was chemical compounds acting on AKT1, which then regulated pathways, such as those in cancer, the PI3 K-Akt signaling pathway, and the p53 signaling pathway, to exert pharmacological effects. This study provided a theoretical basis for TCM compound prescriptions to treat constipation, as well as a new idea for further investigation and development of TCM compound prescriptions.
作者
刘双
董红敬
张艳艳
王晓
刘纹纹
LIU Shuang;DONG Hong-jing;ZHANG Yan-yan;WANG Xiao;LIU Wen-wen(Shandong Analysis and Test Center,Qilu University of Technology(Shandong academy of Science),Jinan 250014,China;College of Pharmacy,Qilu University of Technology(Shandong academy of Science),Jinan 250014,China;Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250014,China)
出处
《山东科学》
CAS
2022年第6期24-32,共9页
Shandong Science
基金
济南市“高校20条”资助项目(2020GXRC007)
山东省重点研发计划(重大科技创新工程)(2021CXGC010508)。
关键词
便秘
数据挖掘
用药规律
网络药理学
constipation
data mining
medication rule
network pharmacology
