| 摘要: |
| 目的：运用网络药理学和分子对接技术探讨玫瑰花糖膏治疗慢性浅表性胃炎（CSG）的作用机制。方法：利用TCMSP数据库收集玫瑰花糖膏的活性成分，并预测其靶点;通过GeneCards与OMIM数据库获取CSG相关靶点;利用STRING数据库构建蛋白质-蛋白质相互作用（PPI）网络，最后对核心靶点进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析，并对预测的分子和靶蛋白进行分子对接。结果：获得玫瑰花糖膏有效成分10种和作用靶点89个，CSG疾病靶点982个，交集靶点45个;筛选出900条GO条目和108条KEGG信号通路;拓扑分析显示，白蛋白（ALB）、V-Myc骨髓细胞瘤病毒癌基因同源物（MYC）、缺氧诱导因子1α（HIF1A）、表皮生长因子受体蛋白（EGFR）、白细胞介素-6（IL-6）等靶点度值最大;活性成分主要通过干预EGFR、晚期糖基化终产物及其受体（AGE-RAGE）和肿瘤坏死因子（TNF）等信号通路发挥作用。分子对接结果显示，玫瑰花糖膏中的主要活性化合物槲皮素和β-谷甾醇与 PPI 网络中的核心靶点能较好地结合。结论：本研究初步明确了玫瑰花糖膏治疗CSG的作用机制，筛选出了关键活性成分、核心靶点蛋白及通路，体现了中药治疗“多组分-多靶点-多通路”的作用特点，为后期开展试验验证提供了明确的方向。 |
| 关键词: 慢性浅表性胃炎 玫瑰花糖膏 维吾尔医学 网络药理学 分子对接 通路 |
| DOI： |
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| Mechanism of action of rose massecuite in treatment of chronic superficial gastritis：A study based on network pharmacology and molecular docking |
| YU Tong,ZHAI Guangyao,ZHANG Xin |
| (Humanwell Healthcare Co.，Ltd.，Wuhan 430075，Hubei，China) |
| Abstract: |
| Objective：To investigate the mechanism of action of rose massecuite in the treatment of chronic superficial gastritis (CSG) based on network pharmacology and molecular docking.Methods：TCMSP database was used to obtain the active components of rose massecuite and predict their targets，and GeneCards and OMIM databases were used to obtain the targets associated with CSG.STRING database was used to establish a protein-protein interaction (PPI) network，and the gene ontology (GO) functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed for core targets.Molecular docking was performed for the predicted molecules and target proteins.Results：A total of 10 effective constituents and 89 action targets were obtained for rose massecuite，and 982 disease targets were obtained for CSG，resulting in 45 intersecting targets.A total of 900 GO terms and 108 KEGG signaling pathways were obtained.The topology analysis showed that the targets including ALB，MYC，HIF1A，EGFR，and IL-6 had the highest degree values，and the active components exerted a therapeutic effect mainly through the EGFR，the AGE-RAGE signaling pathway，and the tumor necrosis factor signaling pathway.Molecular docking showed that quercetin and beta-sitosterol in rose massecuite could well bind to the core targets in the PPI network.Conclusion：This study clarifies the mechanism of action of rose massecuite in the treatment of CSG，identifies the key active components，core target proteins，and pathways，and reflects the characteristics of multiple components，targets，and pathways in traditional Chinese medicine treatment，which provides clear directions for subsequent trials. |
| Key words: chronic superficial gastritis rose massecuite Uygur medicine network pharmacology molecular docking pathway |
