基于《中华医典》探讨金银花用药规律及核心组合药物的现代药理活性挖掘  

Exploration on Medication Regularity of Formula Containing Lonicera Japonica Thunb. in Encyclopaedia of Chinese Medicine and Data Mining for Modern Pharmaceutical Activity of its Core Combination

作　　者：刘双 耿炜 张红艳[4] 王凯 王晓 董红敬 Liu Shuang;Geng Wei;Zhang Hongyan;Wang Kai;Wang Xiao;Dong Hongjing(QiLu University of Technology(Shandong Academy of Science)Shandong Analysis and Test Center,Jinan 250014,China;QiLu University of Technology(Shandong Academy of Science)College of Pharmacy,Jinan 250300,China;Maternal and Child Health Care Hospital of Shandong Province,Jinan 250014,China;The Second Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250014,China)

机构地区：[1]齐鲁工业大学(山东省科学院)山东省分析测试中心,济南250014 [2]齐鲁工业大学(山东省科学院)药学院,济南250300 [3]山东省妇幼保健院,济南250014 [4]山东中医药大学第二附属医院,济南250014

出　　处：《世界科学技术-中医药现代化》2022年第12期5006-5016,共11页Modernization of Traditional Chinese Medicine and Materia Medica-World Science and Technology

基　　金：济南市科学技术局自主培养创新团队课题(2020GXRC007):名优中成药“谱-效”质量控制关键技术及产业化示范,负责人:王晓。

摘　　要：目的 基于数据挖掘分析《中华医典》数据库中含金银花组方的用药规律,探究核心组合药物的现代药理活性。方法 检索《中华医典》数据库获取含金银花的中药复方,对复方进行药物频次统计、关联规则和复杂网络分析,挖掘核心组合药物。基于TCMSP数据库获取核心组合药物的药物靶点;借助CTD数据库预测药物靶点的现代药理作用并通过细胞实验进行验证。结果 筛选出含金银花组方108首,统计中药189味;使用频次在10以上的有35味中药;关联规则显示,金银花-甘草、金银花-甘草-当归分别是支持度最高的组合;网络药理分析显示,核心药物组合金银花-甘草可作用于AKT1、IL-6、ALB等靶点,进而治疗肿瘤、消化系统疾病和心血管疾病等。通过HCT116细胞增殖实验考察核心药物组合的药理作用。结论 核心药对金银花-甘草对HCT116细胞增殖的抑制作用较单药效果好且持久;本研究为金银花药对的发现以及在抗人结直肠癌的研究提供了理论基础。Objective Exploration of medication regularity of formula containing Lonicerae Japonicae Flos in the "Encyclopaedia of Chinese medicine" based on data mining,investigation of modern pharmaceutical activity of core combination drugs.Methods The formula containing Lonicerae Japonicae Flos was obtained from Encyclopaedia of Chinese medicine,and analyzed the drug frequency statistics,association rule and complex network analysis,then discovered the core medicine pairs.The targets of core combination drugs were acquired from TCMSP database;The modern pharmaceutical action of medicine targets was predicted by CTD database,then verified result by cell testing.Results The 108 prescriptions containing Lonicerae Japonicae Flos were screened,a total of 189 traditional Chinese medicines;It contained 39 traditional Chinese medicine that use frequency was over 10;The association rule showed that Lonicerae Japonicae Flos and Glycyrrhizae Radix Rhizoma,Lonicerae Japonicae Flos,Glycyrrhizae Radix Rhizoma and Angelicae Sinensis Radix were the most supported combinations,respectively.The network pharmacology analysis indicated that core drug combination can act on AKT1,IL-6,ALB to treat neoplasms,digestive system diseases,cardiovascular diseases et al.The pharmacodynamic effects of the core drug combination were investigated through cell experiments.Conclusion The inhibitory effect of the core drug on the proliferation of HCT116 cells by Lonicerae Japonicae Flos and Glycyrrhizae Radix Rhizoma was better and lasting than that of the single drug.This study provided a theoretical basis for the discovery of Lonicerae Japonicae Flos medicine pairs and the study of anti-human colorectal cancer.

关 键 词：金银花 甘草 数据挖掘 网络药理学 结直肠癌 HCT116 

分 类 号：R285[医药卫生—中药学]