通讯作者: 吴夏阳, 56425477@qq.com

DOI：10.12201/bmr.202508.00023

Based on network pharmacology and molecular docking technology to explore the molecular mechanism of Oulongma oral drops in the treatment of allergic rhinitis

• 摘要：目的: 基于网络药理学及分子对接技术预测欧龙马在治疗过敏性鼻炎(allergic rhinitis, AR)中的作用靶点及机制。方法：运用BATMAN数据库筛选欧龙马口服滴剂中的活性成分及相关靶点。通过多个疾病数据库获取AR相关疾病靶。利用String数据库构建蛋白质相互作用(protein-protein interaction,PPI)网络,筛选核心靶点。采用David平台进行基因本体论(gene ontology,GO)功能和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)通路富集分析。运用CB-Dock2工具进行分子对接验证关键活性成分与核心靶点的结合能力。 结果：共筛选得到252个潜在作用靶点。网络拓扑分析显示槲皮素、棕榈酸、硬脂酸、肉豆蔻酸、木蜡酸为关键活性成分。PPI网络分析筛选出STAT3、IL-6、TNF、TP53、EGFR为核心作用靶点。GO富集分析优先显示炎症反应和免疫调节等生物过程,KEGG通路富集则揭示欧龙马作用于与AR密切相关的多条信号通路。分子对接结果显示关键活性成分与核心靶点具有良好的结合亲和力,其中与TNF和EGFR的结合最为显著。 结论：欧龙马可能通过槲皮素等关键活性成分靶向STAT3、IL-6、TNF等核心蛋白,调控炎症反应和免疫应答相关信号通路,实现对AR的多靶点、多通路治疗作用。

  关键词： 欧龙马口服滴剂; 网络药理学; 过敏性鼻炎; 分子对接; 靶点预测

   

  Abstract: Objective: To predict the target proteins and mechanisms of Ouroboros in treating allergic rhinitis (AR) based on network pharmacology and molecular docking technology. Methods: The BATMAN database was used to screen active components and related targets in Ouroboros oral drops. AR-related disease targets were obtained from multiple disease databases. The String database was utilized to construct a protein-protein interaction (PPI) network and screen core targets. The David platform was employed for gene ontology (GO) functional and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis. The CB-Dock2 tool was used for molecular docking to validate the binding capability between key active components and core targets. Results: A total of 252 potential target proteins were screened. Network topology analysis revealed that quercetin, palmitic acid, stearic acid, myristic acid, and lignoceric acid were key active components. PPI network analysis identified STAT3, IL-6, TNF, TP53, and EGFR as core target proteins. GO enrichment analysis primarily showed biological processes such as inflammatory responses and immune regulation, while KEGG pathway enrichment revealed that Ouroboros acts on multiple signaling pathways closely related to AR. Molecular docking results demonstrated strong binding affinity between key active components and core targets, with the binding to TNF and EGFR being the most significant. Conclusion: Ouroboros may target core proteins such as STAT3, IL-6, and TNF through key active components like quercetin, regulating inflammatory and immune response-related signaling pathways to achieve multi-target and multi-pathway therapeutic effects on AR.

  Key words: ; ; ; ; 

  提交时间：2025-08-11

  版权声明：作者本人独立拥有该论文的版权，预印本系统仅拥有论文的永久保存权利。任何人未经允许不得重复使用。
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• 序号	提交日期	编号	操作
  1	2025-07-25	bmr.202508.00023V1	下载

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