首页|基于网络药理学和分子对接探讨香果健消片治疗功能性消化不良的作用机制

基于网络药理学和分子对接探讨香果健消片治疗功能性消化不良的作用机制

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目的 探讨香果健消片治疗功能性消化不良(FD)的作用机制。方法 利用中药系统药理学数据库与分析平台(TCMSP)和中医百科全书(ETCM)数据库获取香果健消片主要化学成分;构建化学成分与疾病靶点网络得到潜在靶点;对核心靶点进行基因本体(GO)功能富集分析和京都基因和基因组百科全书(KEGG)通路富集分析,最后进行分子对接验证。结果 本研究筛选出21个有效成分和67个共同靶点。丝裂原活化蛋白激酶3(MAPK3)、表皮生长因子受体(EGFR)、非受体酪氨酸激酶(SRC)、肿瘤坏死因子(TNF)、蛋白激酶1(AKT1)等是香果健消片治疗FD的核心靶点。GO富集分析共得到367个条目,KEGG通路富集分析共得到116条通路,其中EGFR、磷脂酰肌醇3激酶-蛋白激酶B(PI3K/AKT)和C型凝集素受体(CLR)等通路可能与FD相关。结论 香果健消片可能通过促进胃动力,改善胃肠道功能,从而治疗FD。
Investigation on the action mechanism of Xiangguo Jianxiao tablets on functional dyspepsia based on network pharmacology and molecular docking
Objective To investigate the action mechanism of Xiangguo Jianxiao tablets on functional dyspepsia(FD).Methods The main chemical components of Xiangguo Jianxiao tablets were obtained by traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)and encyclopedia of traditional Chinese medicine(ETCM)databases.Potential targets were obtained by constructing a network of chemical components and disease targets.Gene ontology(GO)function enrichment analysis and Kyoto Encyclopedia of genes and Genomes(KEGG)pathway enrichment analysis were carried out on the core target,and finally molecular docking verification was performed.Results In this research,21 effective components and 67 common targets were screened out.Mitogen-activated protein kinase 3 gene,epidermal growth factor receptor(EGFR),SRC proto-oncogene(SRC),tumor necrosis factor(TNF),and protein kinase AKT1(AKT1)were the core targets of Xiangguo Jianxiao tablets in the treatment of FD.There were 367 entries in GO enrichment analysis and 116 pathways in KEGG pathway enrichment analysis,in which EGFR,phosphatidylinositide 3-kinases-protein kinase B(PI3K/AKT),C-type lectin-like receptor(CLR),etc.,pathways may be related to FD.Conclusion Xiangguo Jianxiao tablets may treat FD by promoting gastric motility and improving gastrointestinal function.

Xiangguo Jianxiao tabletsFunctional dyspepsiaNetwork pharmacologyMolecular dockingAction mechanism

孙晓娟、唐新宗、何丽芳

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云南云河药业股份有限公司,云南个旧 661000

香果健消片 功能性消化不良 网络药理学 分子对接 作用机制

2024

中国医药科学
海峡两岸医药卫生交流协会 二十一世纪联合创新(北京)医药科学研究院

中国医药科学

影响因子:1.083
ISSN:2095-0616
年,卷(期):2024.14(15)