网络药理学和分子对接探究鼻灵散治疗CRS的作用机制

Mechanism of Bilingsan Powder in Treating Chronic Rhinosinusitis Based on Network Pharmacology and Molecular Docking

目的运用网络药理学和分子对接的方法探究鼻灵散治疗慢性鼻炎(CRS)的药理作用机制。方法借助TCMSP数据库筛选得到鼻灵散方中的活性成分及其对应靶点,通过Genecards、OMIM、DRUGBANK数据库筛选获取鼻炎治疗靶点。结果鼻灵散治疗鼻炎的核心活性成分包括槲皮素、山奈酚、木犀草素、豆甾醇等,相关核心靶点有PTGS2、NOS2、GABRA2等,分子对接验证亦显示大部分活性成分与核心靶点的结合活性较好。KEGG富集分析显示涉及的生物学通路主要是IL-17和TNF信号通路。结论鼻灵散以各种成分通过调控靶点PTGS2、NOS2、GABRA2,有可能是作用于IL-17和TNF信号通路,收缩鼻腔,减轻炎症反应,从而起到治疗鼻炎的作用。

Objective To explore the pharmacological mechanism of Biling powder in treating rhinitis by means of network pharmacology and molecular docking.Methods The active ingredients and their corresponding targets were screened from TCMSP database,and the targets of rhinitis disease were screened from Genecards,OMIM,DRUGBANK database.Results The core active components of Biling powder in the treatment of rhinitis included quercetin,kaempferol,luteolin,stigmasterol,etc.The related core targets included PTGS2,NOS2,GABRA2,etc.The molecular docking verification also showed that most of the active components had good binding activity with the core target.KEGG enrichment analysis showed that the biological pathways involved were mainly IL⁃17 and TNF signaling pathways.Conclusion Through regulating the target PTGS2,NOS2,GABRA2,various components of Biling powder may play a role in the IL⁃17 and TNF signal pathways,contracting the nasal cavity,reducing inflammation,and thus play a role in treating rhinitis.