基于网络药理学及数据挖掘探讨持续性房颤中药用药规律

Exploring traditional Chinese medicines for persistent AF based on network pharmacology and data mining

目的探讨持续性房颤中药用药规律。方法通过DisGeNET数据库和GeneCards数据库搜索持续性房颤相关靶点,运用Venn图去除重复疾病靶点,之后采用DAVID、KEGG数据库进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路分析。以OB≥30%,DL≥0.18为筛选条件,于TCMSP数据库筛选持续性房颤潜在靶点相关化合物和相关中药,并以此构建靶点-化合物-中药可视化网络。参考中国药典2020版和中药学第九版,收集中药四气五味、归经等相关信息,运用统计方法进行分析,获取持续性房颤的中药用药规律。结果获得持续性房颤相关基因靶点21个,与此同时,在TCMSP数据库中匹配到相关化合物566个,4613个相关中药,去除重复值,总计中药316味,如甘草、钩藤、延胡索等。其中槲皮素、表没食子儿茶素没食子酸酯、木犀草素、非瑟酮、汉黄芩素、鸢尾酮等预测为主要干预持续性房颤的化合物。中药的四气五味、归经统计结果显示,相关中药性味以苦寒为主,多归肝经。结论本研究探讨了治疗持续性房颤的相关化合物,分析了中药用药规律,为治疗持续性房颤的临床用药提供参考,对推动新药研发具有一定的价值。

Objective To explore the rule of traditional Chinese medicine for persistent atrial fibrillation.Methods the related targets of persistent atrial fibrillation were searched by the DisGeNET database and GeneCards database,and the repetitive disease targets were removed by Venn map.Then gene ontology(gene ontology,GO)functional enrichment analysis and Kyoto Encyclopedia of Gene and Genome(Kyoto encyclopedia of genes and genomes,KEGG)pathway analysis were performed by DAVID and KEGG databases.OB≥30%dl≥0.18 as the screening condition.The potential target-related compounds and traditional Chinese medicine related to persistent atrial fibrillation were screened in the TCMSP database,and the visual network of target-compound-traditional Chinese medicine was constructed.Regarding the 2020 edition of Chinese Pharmacopoeia and the ninth edition of traditional Chinese medicine,the relevant information of traditional Chinese medicine such as Four Qi and Five Flavors and meridian tropism were collected and analyzed by statistical methods to obtain the medication rule of traditional Chinese medicine with persistent atrial fibrillation.Results 21 gene targets related to persistent atrial fibrillation were obtained.at the same time,566 related compounds and 4129 related traditional Chinese medicines were matched in the TCMSP database,with a total of 316 traditional Chinese medicines,such as Glycyrrhiza uralensis,Uncaria Angustifolia,Rhizoma Corydalis and so on.Quercetin,epigallocatechin gallate,luteolin,feserone,wogonin and iris are predicted to be the main compounds to interfere with persistent atrial fibrillation.The statistical results of Four Qi and Five Flavors and meridian tropism of traditional Chinese medicine show that the taste of traditional Chinese medicine is mainly bitter and cold,and most of them belong to the liver meridian.Conclusion This study discussed the related compounds in the treatment of persistent atrial fibrillation,analyzed the rules of the use of traditional Chinese medicine,provided a reference for the clinical use of drugs for the treatment of persistent atrial fibrillation,and had a certain value in promoting the research and development of new drugs.