Network pharmacology and molecular docking study on the potential mechanism of Tongqiao–Biyan granule in treatment of allergic rhinitis

Eye & ENT Research Pub Date : 2024-11-27 DOI:10.1002/eer3.20

Zheying Song, Yujuan Yang, Zhaoxue Zhai, Yu Zhang, Xicheng Song

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Abstract

Purpose

Allergic rhinitis (AR) is a pervasive global health problem, imposing a major economic burden and causing disability worldwide. Tongqiao–Biyan granule (TBG) has gained popularity in China for the treatment of AR. This study aimed to elucidate the molecular mechanism underlying TBG's efficacy in treating AR.

Methods

The Traditional Chinese Medicine pharmacological database was utilized to identify the main ingredients in TBG and their corresponding target genes. AR-related target genes were identified using the GeneCards, OMIM, and DrugBank databases. The Gene Ontology (GO) network, Kyoto Encyclopedia of Genes and Genomes (KEGG), and target protein–protein interaction (PPI) network were employed to analyze the molecular mechanisms. The top five hub genes were selected for molecular docking with the top five ranked compounds to confirm their interaction in TBG when used in the treatment of AR.

Results

A total of 7 active ingredients from TBG, 784 predicted targets of TBG, and 945 AR targets were obtained. Analysis via the GO and KEGG databases revealed that TBG can act on AR by modulating inflammatory responses and promoting cell migration. PPI network analysis and molecular docking results suggested that phellopterin, quercetin, luteolin, denudatin B, and cleomiscosin A in TBG may alleviate the AR symptoms by interacting with key proteins such as TNF, AKT1, STAT3, VEGFA, and EGFR.

Conclusions

TBG modulates numerous targets across diverse signaling pathways in the AR therapy. Our results furnish a theoretical foundation for further exploring TBG's pharmacological mechanism in AR treatment.

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通窍鼻炎颗粒治疗变应性鼻炎的网络药理学与分子对接研究

过敏性鼻炎（AR）是一个普遍存在的全球性健康问题，在世界范围内造成了重大的经济负担并导致残疾。通调鼻炎颗粒（TBG）治疗AR在国内颇受欢迎，本研究旨在阐明TBG治疗AR的分子机制。方法利用中药药理学数据库，鉴定TBG的主要成分及其对应的靶基因。使用GeneCards、OMIM和DrugBank数据库鉴定ar相关靶基因。利用基因本体（GO）网络、京都基因与基因组百科全书（KEGG）网络和靶蛋白-蛋白相互作用（PPI）网络分析其分子机制。选择排名前5位的枢纽基因与排名前5位的化合物进行分子对接，确认它们在TBG治疗AR时与TBG的相互作用。结果从TBG中共获得7种有效成分，TBG预测靶点784个，AR靶点945个。通过GO和KEGG数据库的分析显示，TBG可以通过调节炎症反应和促进细胞迁移来作用于AR。PPI网络分析和分子对接结果提示，TBG中的黄柏素、槲皮素、木草素、剥皮素B、cleomiscosin A可能通过与TNF、AKT1、STAT3、VEGFA、EGFR等关键蛋白相互作用，缓解AR症状。结论：在AR治疗中，TBG可调节多种信号通路中的众多靶点。本研究结果为进一步探索TBG治疗AR的药理机制提供了理论基础。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Eye & ENT Research

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