中医眼耳鼻喉杂志2025，Vol.15Issue(4)：217-224,8.DOI:10.3969/j.issn.1674-9006.2025.04.008
基于网络药理学与分子对接技术探析辛夷清肺饮治疗过敏性鼻炎的潜在机制
Potential mechanism of Xinyi Qingfei Yin in treating allergic rhinitis based on network pharmacology and molecular docking analysis
摘要
Abstract
Objective To explore the potential mechanisms of Xinyi Qingfei Yin in the treatment of Allergic Rhini-tisusing network pharmacology and molecular docking techniques.Methods The TCMSP database was primarily used to retrieve the 10 herbs contained in Xinyi Qingfei Yin,predicting the active components and their targets in the formula.Sim-ultaneously,the Gene Cards database was searched for"Allergic Rhinitis"to identify overlapping targets between the for-mula and the disease.A network was constructed and visualized using Cytoscape software(version 3.8.0)to screen for key active components.Network topology analysis was performed using the STRING database and the CytoNCA plugin to identify core targets.The enrichment analysis data of the intersection target was obtained in the DAVID database and visu-alized in SRplot.Finally,molecular docking was conducted between the selected active components and core targets.Results After removing duplicates,320 intersecting genes between the drug and disease were identified.Ten main active compo-nents and 11 core targets were screened out.Obtain the data of GO and KEGG enrichment analysis.Molecular docking showed that the active components β-sitosterol and stigmasterol had the most significant binding affinity with the AKT 1 target.Conclusion The main active components in Xinyi Qingfei Yin,including kaempferol,quercetin,stigmasterol,isorh-amnetin,cimicifugic acid,β-sitosterol,(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-hepta-methyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid,stigmasterol(3-epi-β-sitoster-ol),and Mandenoll,may treat allergic rhinitis by acting on targets such as SRC,STAT3,TP53,AKT1,PIK3R1,HSP90AA1,PIK3CD,EGFR,PTPN11,ESR1,and CTNNB1.关键词
辛夷清肺饮/过敏性鼻炎/网络药理学/分子对接/潜在机制Key words
Xinyi Qingfei Yin/Allergic rhinitis/Network pharmacology/Molecular docking/Potential mechanism分类
医药卫生引用本文复制引用
王冬梅,柳权桂,蒋若桐,李欣容,范鑫宇..基于网络药理学与分子对接技术探析辛夷清肺饮治疗过敏性鼻炎的潜在机制[J].中医眼耳鼻喉杂志,2025,15(4):217-224,8.基金项目
成都中医药大学"杏林学者"学科人才科研提升计划苗圃人才项目(编号:MPRC2022004) （编号:MPRC2022004）
