基于数据挖掘及网络药理学探究中药复方治疗溃疡性结肠炎的用药规律及机制

Compatibility Regularity and Mechanism of Prescriptions containing Chinese Medicine Compound in Treatment of Ulcerative Colitis based on Data Mining and Network Pharmacology

目的收集中国知网(CNKI)中2016年1月1日—2021年1月1日有关中药复方治疗溃疡性结肠炎的临床随机对照研究,研究其用药规律,并运用网络药理学方法研究核心药对的作用机制。方法运用统计学方法对符合纳入标准的中药复方进行频数分析、关联规则分析、聚类分析,并应用网络药理学方法研究核心药对黄连-白头翁的干预靶点以及交集基因的基因本体(GO)功能注释和京都基因与基因组百科全书(KEGG)通路富集分析。结果共纳入中药复方279个,涉及中药208味,高频药物有黄连、白术等,归经以肝经居多;药物四气以寒、温为主;五味以苦辛为主;分类以清热、补虚药居多;得到黄连-白头翁等核心药对20个;潜在治疗成分包括槲皮素、巴马汀、金色草素、β-谷甾醇等,核心靶点为TP53、ESR1、RELA、FOS、JUN、RB1和MAPK1;涉及的生物学过程包括药物反应、金属离子反应、氧化应激反应等;分子信号通路包括脂质代谢、TNF信号通路、IL-17信号通路、Th17细胞分化等。结论中医药治疗溃疡性结肠炎以苦寒降泄为主,并辅以理气、化湿、活血、补虚为法;核心药对黄连-白头翁治疗溃疡性结肠炎可能是通过槲皮素、巴马汀、金色草素、β-谷甾醇等多个成分靶向多个核心靶点,经由多条信号通路介导产生效应。

Objective To collect clinical randomized controlled studies on the treatment of ulcerative colitis with Chinese herbal compound prescriptions from China National Knowledge Network(CNKI)from January 1,2016 to January 1,2021,to study its medication rules,and to use network pharmacology methods study the mechanism of action of the core drug pair.Methods Statistical methods were used to conduct frequency analysis,association rule analysis,and cluster analysis of traditional Chinese medicine compounds that met the inclusion criteria,and network pharmacology methods were used to study the intervention targets of core drugs on Coptis-Pulsatilla and the gene ontology(GO)of the intersection genes functional annotation and pathway enrichment analysis of Kyoto Encyclopedia of Genes and Genomes(KEGG).Results A total of 279 Chinese herbal compound prescriptions were included,involving 208 Chinese herbal medicines.High-frequency drugs included Coptis and Atractylodes macrocephala.Liver meridian is mostly the return channel;the four qi are mainly cold and warm;Most of the classifications are heat-clearing and tonic drugs;20 core drug pairs such as Coptis and Pulsatilla were obtained;potential therapeutic ingredients include quercetin,palmatine,aureoflavin,β-sitosterol,etc.The core targets are TP53,ESR1,RELA,FOS,JUN,RB1 and MAPK1;the biological processes involved include drug response,metal ion response,oxidative stress response,etc;molecular signaling pathways include lipid metabolism,TNF signaling pathway,IL-17 signaling pathway,Th17 cell differentiation etc.Conclusion TCM treatment of ulcerative colitis is mainly based on bitter cold and lowering diarrhea,supplemented by regulating qi,reducing dampness,promoting blood circulation,and tonic;Aureoflavin,β-sitosterol and other components target multiple core targets and mediate effects through multiple signal pathways.