| 摘要: |
| 目的：研究中药治疗消化性溃疡（PU）的作用机制。方法：检索2020年版《中华人民共和国药典》与药智数据库中中药治疗PU的处方，利用Spss Modeler进行数据挖掘得到核心药物。从TCMSP数据库中获取核心中药的主要活性成分及作用靶点，GeneCards、OMIM、DrugBank、DisGenet数据库中获取疾病靶点，取交集靶点。对交集靶点进行可视化分析，筛选后得到核心靶点与核心成分，并进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析和分子对接。结果：获得甘草、延胡索、白芍、白及、党参5味核心药物，药物聚为 3 类，核心活性成分为槲皮素、山柰酚、木犀草素、柚皮素、柱头甾醇，核心靶点为环加氧酶（PTGS2）、表皮细胞因子（EGF）、表皮生长因子受体（EGFR）、白细胞介素-6（IL-6）、胱天蛋白酶（CASP3）等16个。获得603条GO条目，主要涉及氧化应激反应、蛋白磷酸化、泛素蛋白连接酶等。KEGG富集条目共 118 条通路，核心靶点主要富集在肿瘤坏死因子、白细胞介素-17(IL-17)等信号通路。结论：5味中药治疗PU可能是通过调控PTGS2、EGF等靶点及TNF、IL-17、MAPK、HIF-1等通路的表达来实现。 |
| 关键词: 消化性溃疡 中药 数据挖掘 网络药理学 分子对接 作用机制 |
| DOI： |
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| Mechanism of action of traditional Chinese medicine in treatment of peptic ulcer：A study based on data mining，network pharmacology，and molecular docking |
| LI Jixing,LI Yihua,LIU Xiaobo |
| (School of Pharmacy，Dali University，Dali 671000，Yunnan，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of traditional Chinese medicine (TCM) in the treatment of peptic ulcer (PU).Methods：Pharmacopoeia of The People’s Republic of China (2020 edition) and Yaozhi Database were searched to obtain the TCM prescriptions for PU，and SPSS Modeler was used for data mining to obtain core drugs.TCMSP database was used to obtain the main active components of core TCM drugs and their action targets，and GeneCards，OMIM，DrugBank，and DisGenet databases were used to obtain disease targets，with intersecting targets obtained for the two groups of targets.Visual analysis was performed for the intersecting targets to obtain core targets and core components，and the gene ontology (GO) functional enrichment analysis，the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis，and molecular docking were performed.Results：Five core drugs were obtained，i.e.，Radix Glycyrrhizae，Rhizoma Corydalis，Radix Paeoniae Alba，Rhizoma Bletillae，and Codonopsis pilosula，and the drugs were clustered into three categories.Core active components were quercetin，kaempferol，luteolin，naringenin，and stigmastanol，and there were 16 core targets，including PTGS2，EGF，EGFR，IL-6，and CASP3.A total of 603 GO terms were obtained，which mainly involved oxidative stress response，protein phosphorylation，and ubiquitin-protein ligases.The KEGG pathway enrichment analysis obtained 118 pathways，and the core targets were mainly enriched in the signaling pathways such as tumor necrosis factor (TNF) and interleukin-17 (IL-17).Conclusion：The above five TCM drugs may exert a therapeutic effect on PU by regulating the targets such as PTGS2 and EGF and the pathways such as TNF，IL-17，MAPK，and HIF-1. |
| Key words: peptic ulcer traditional Chinese medicine data mining network pharmacology molecular docking mechanism of action |
