[1]刘卉,申琪.基于网络药理学与分子对接研究麻黄-桂枝药对治疗变应性鼻炎的作用机制[J].西部中医药,2024,37(04):77-85.[doi:10.12174/j.issn.2096-9600.2024.04.16]
　LIU Hui,SHEN Qi.Study on the Mechanism of Action of Mahuang-Guizhi Drug Combinations for the Treatment of Allergic Rhinitis based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2024,37(04):77-85.[doi:10.12174/j.issn.2096-9600.2024.04.16]
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基于网络药理学与分子对接研究麻黄-桂枝药对治疗变应性鼻炎的作用机制
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《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
37
期数:
2024年04期
页码:
77-85
栏目:
二次研究
出版日期:
2024-04-15

文章信息/Info

Title:
Study on the Mechanism of Action of Mahuang-Guizhi Drug Combinations for the Treatment of Allergic Rhinitis based on Network Pharmacology and Molecular Docking
作者:
刘卉1,2, 申琪2
1.河南中医药大学，河南 郑州 450000
2.河南中医大学第一附属医院，河南 郑州 450000
Author(s):
LIU Hui1,2, SHEN Qi2
1.Henan University of Traditional Chinese Medicine, Zhengzhou 450000, China
2.The First Affiliated Hospital of Henan University of Traditional Chinese Medicine, Zhengzhou 450000, China
关键词:
麻黄; 桂枝; 变应性鼻炎; 网络药理学; 分子对接; 靶点; 通路
Keywords:
allergic rhinitis; network pharmacology; molecular docking; target; pathway
分类号:
R765.21
DOI:
10.12174/j.issn.2096-9600.2024.04.16
文献标志码:
A
摘要:
目的应用网络药理学和分子对接技术研究麻黄-桂枝药对治疗变应性鼻炎的作用机制。 方法应用TCMSP数据库和UnitProt数据库筛选麻黄-桂枝药对的活性成分和作用靶点，并应用OMIM、GeneCards、DrugBank、TTD数据库获得变应性鼻炎的疾病作用靶点，取两者交集，获得麻黄-桂枝药对治疗变应性鼻炎的作用靶点并绘制韦恩图；应用Cytoscape 3.7.2软件构建“药物-成分-靶点-疾病”网络；应用STRING数据库和Cytoscape 3.7.2软件构建蛋白质相互作用网络，并进行拓扑分析；应用Metascape数据库进行KEGG富集分析与GO富集分析；应用Pubchem数据库、Chem3d软件等对关键成分和靶点进行分子对接验证。 结果获得麻黄-桂枝药对的活性成分27个，作用于变应性鼻炎的靶点109个；关键活性成分主要为槲皮素、β-谷甾醇、山柰酚、木犀草素等；关键靶点主要为TNF、RMLA、IL-6、AKT1等；主要通过PI3K-Akt、TNF、AGE-RAGE、IL-17等信号通路发挥治疗作用；分子对接结果显示成分和靶点具有良好的结合性。 结论阐明了麻黄-桂枝药对治疗变应性鼻炎多成分、多靶点、多通路的作用机制，为进一步深入研究提供方向和依据。
Abstract:
ObjectiveTo study the mechanism of action of Mahuang (Ephedrae herba)-Guizhi (Cinnamomi ramulus) in the treatment of allergic rhinitis(AR) based on network pharmacology and molecular docking. MethodsThe TCMSP and Unitprot databases were applied to screen the active ingredients and targets of Mahuang-Guizhi, and the OMIM, GeneCards, DrugBank, and TTD databases were used to obtain the targets of AR, and the intersection of these targets was used to obtain the targets of the drug pairs for the treatment of AR and to draw the Venny diagram; Cytoscape 3.7.2 software was used to construct the "drug-component-target-disease" network; STRING database and Cytoscape 3.7.2 software were applied to construct the protein-protein interaction network and perform topology analysis; Metascape database was utilized to perform KEGG enrichment and GO enrich-ment analysis; Pubchem database and chem3d software were used for molecular docking verification of key components and targets. ResultsAll 27 active ingredients and 109 targets acting on AR were obtained for the drug pair; the key active ingredients were mainly quercetin, β-sitosterol, kaempferol, lignocerol, etc.; the key targets were mainly TNF, RMLA, IL-6, AKT1, etc.; the therapeutic effects were mainly exerted through the signaling pathways such as PI3K-Akt, TNF, AGE-RAGE, IL-17, etc.; molecular docking results showed that the compo-nents and targets had good binding. ConclusionThe study elucidates the multi-ingredient, multi-target and multi-pathway mechanism of action of Mahuang-Guizhi in the treatment of AR, which may provide the direction and basis for further in-depth research.

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备注/Memo

备注/Memo:
刘卉（1997—），女，硕士学位，医师。研究方向：耳鼻喉疾病的中医防治研究。国家自然科学基金（81273810）；河南省中医药研究专项课题重点课题（20-21ZY1013）。
更新日期/Last Update: 2024-04-15