基于网络药理学和分子对接探讨麻黄附子细辛汤合肾四味汤治疗变应性鼻炎的作用机制  

Mechanism of action of Mahuang Fuzi Xixin decoction combined with Shensiwei decoction in treatment of allergic rhinitis:A study based on network pharmacology and molecular docking

作　　者：邓秀娟 张钰 刘雨 胡学军 曾宏亮 管聘 谭宇军 DENG Xiujuan;ZHANG Yu;LIU Yu;HU Xuejun;ZENG Hongliang;GUAN Pin;TAN Yujun(Hunan Provincial Hospital of Integrated Traditional Chinese and Western Medicine,Changsha 410006,Hunan,China;Hunan University of Chinese Medicine,Changsha 410208,Hunan,China)

机构地区：[1]湖南省中西医结合医院,湖南长沙410006 [2]湖南中医药大学,湖南长沙410208

出　　处：《湖南中医杂志》2023年第11期194-200,共7页Hunan Journal of Traditional Chinese Medicine

基　　金：国家自然科学基金项目(81473564);湖南省自然科学基金项目(2022JJ4414)。

摘　　要：目的:运用网络药理学和分子对接技术探讨麻黄附子细辛汤合肾四味汤治疗变应性鼻炎(AR)的作用机制。方法:利用TCMSP数据库,获取并筛选麻黄附子细辛汤合肾四味汤的活性成分和潜在靶点;通过多个数据库挖掘AR的相关靶点,并与麻黄附子细辛汤合肾四味汤的潜在靶点取交集,获得麻黄附子细辛汤合肾四味汤治疗AR的核心靶点,同时进行蛋白质-蛋白质相互作用(PPI)网络构建,利用R语言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;采用分子对接技术将主要活性成分与核心靶点进行分子对接。结果:麻黄附子细辛汤合肾四味汤中的67个有效成分可以通过白细胞介素-17受体通路、Toll样受体通路、低氧诱导因子受体通路(HIF-1 Signaling Pathway)等多种受体通路治疗AR。分子对接结果显示槲皮素与基质金属蛋白酶9(MMP9)、木犀草素与白细胞介素-6大分子蛋白有良好的结合性。结论:麻黄附子细辛汤合肾四味汤可以从多靶点、多通路治疗AR,为后续研究提供了新的方向。Objective:To investigate the mechanism of action of Mahuang Fuzi Xixin decoction combined with Shensiwei decoction in the treatment of allergic rhinitis(AR)based on network pharmacology and molecular docking.Methods:TCMSP database was used to obtain the active components of Mahuang Fuzi Xixin decoction combined with Shensiwei decoction and their potential targets;multiple databases were used to obtain the targets associated with AR,which were intersected with the potential targets of Mahuang Fuzi Xixin decoction combined with Shensiwei decoction to obtain the core targets of Mahuang Fuzi Xixin decoction combined with Shensiwei decoction in the treatment of AR and establish a protein-protein interaction network.R language was used to perform the gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of core targets,and molecular docking was performed between the main active components and the core targets.Results:The 67 effective constituents in Mahuang Fuzi Xixin decoction combined with Shensiwei decoction exerted a therapeutic effect on AR through multiple pathways including the interleukin-17 pathway,the Toll-like receptor pathway,and the HIF-1 signaling pathway.Molecular docking showed good binding between quercetin and matrix metalloproteinase-9 and between luteolin and interleukin-6.Conclusion:Mahuang Fuzi Xixin decoction combined with Shensiwei decoction can exert a therapeutic effect on AR through multiple targets and pathways,which provides a new direction for subsequent studies.

关 键 词：变应性鼻炎 麻黄附子细辛汤合肾四味汤 网络药理学 分子对接 

分 类 号：R285.5[医药卫生—中药学]