基于网络药理学和分子对接探讨小檗碱治疗真菌性角膜炎的作用机制
Exploration on the Mechanism of Berberine in Treating Fungal Keratitis Based on Network Pharmacology and Molecular Docking
摘要: 目的：利用网络药理学的技术来探索小檗碱(Berberine, BBR)对于治疗真菌性角膜炎(Fungal keratitis, FK)的方法论基础。方法：从SwissTagetPredictions数据库中查询小檗碱的潜在靶点，应用OMIM和Genecards数据库检索FK的治疗靶点。将数据库数据合并去重后，通过Venny 2.1平台绘制韦恩图。利用STRING平台构建蛋白相互作用(PPI)网络，将结果导入Cytoscape 3.10.0软件以实现视觉化的解析过程。使用R软件分析了基因本体论(Gene Ontology)和京都基因和基因组百科全书(Kyoto encyclopedia of Genes and Genomes)丰富信号通路。最后使用AutoDock进行分子对接。结果：共搜索到小檗碱潜在靶点139个，角膜炎相关靶点1809个，小檗碱治疗真菌性角膜炎的潜在靶点28个。经拓扑学分析获得核心PPI网络，包含26个节点；GO功能富集分析与KEGG通路富集分析结果显示小檗碱对治疗真菌性角膜炎可能涉及的GO功能37个。共富集得到652条GO条目，102条KEGG通路。“药物–靶标–病症”的建构揭示了小檗碱对于防治真菌性角膜炎和25个靶基因有着紧密联系。分子对接结果表明小檗碱与SRC、PI3KCA、JAK2、MET及CDC42均有较好结合活性。结论：这项研究预测了小檗碱对于治疗真菌性角膜炎的潜在靶点，并初步探讨了小檗碱对真菌性角膜炎的可能影响和机制。这为理解小檗碱对真菌性角膜炎的作用提供了科学依据和参考。
Abstract: Objective: To investigate the therapeutic mechanisms of berberine (BBR) in the treatment of fungal keratitis (FK) using network pharmacology. Methods: Berberine’s potential targets were discovered using the SwissTargetPredictions database, and therapeutic targets for FK were obtained from the OMIM and Genecards databases. The data were combined, duplicates were removed, and a Venn diagram was created with the Venny 2.1 tool. A protein-protein interaction (PPI) network was established with the STRING platform and analyzed using the Cytoscape 3.10.0 software for visualization. R software was utilized to carry out Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses, which were followed by molecular docking performed with AutoDock. Results: A total of 139 potential targets of berberine and 1809 FK-related targets were identified, with 28 overlapping targets potentially involved in the treatment of FK by berberine. Topological analysis revealed a core PPI network comprising 26 nodes. The results of GO functional enrichment analysis and KEGG pathway enrichment analysis revealed that berberine may target 37 GO terms potentially relevant to fungal keratitis treatment. Specifically, 652 GO terms and 102 KEGG pathways were significantly enriched. The “berberine-target-disease” network demonstrated that berberine is closely related to 25 target genes in the treatment of FK. Molecular docking results showed that berberine exhibits strong binding activity with SRC, PI3KCA, JAK2, MET, and CDC42. Conclusion: This study predicted potential targets of berberine in the treatment of FK and preliminarily explored its potential mechanisms of action. The results offer a scientific foundation and point of comparison for understanding how berberine could potentially be effective in treating fungal keratitis.
文章引用：刘相志, 刘俞辰, 王谦. 基于网络药理学和分子对接探讨小檗碱治疗真菌性角膜炎的作用机制[J]. 临床医学进展, 2025, 15(4): 72-81. https://doi.org/10.12677/acm.2025.154903

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