中国中西医结合皮肤性病学杂志2025，Vol.24Issue(2)：112-119,8.
基于网络药理学和分子对接的活血化瘀药对当归-红花调节IL-17信号通路治疗银屑病作用机制研究
Mechanism of Action of Blood-Activating and Stasis-Resolving Herb Pairs Danggui and Honghua in Regulating the IL-17 Signaling Pathway for the Treatment of Psoriasis Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective In order to explore the effective components and molecular mechanisms of the blood-activating and stasis-resolving herb pairs,Danggui and Honghua,in the treatment of psoriasis through network pharmacology and molecular docking techniques.Methods Literature was reviewed,and the TCMSP database was searched to obtain the active components and targets of the Danggui and Honghua herb pairs.Targets for psoriasis were collected using databases such as TCMSP,OMIM and GeneCards."The traditional Chinese medicine-active components-Targets"network was constructed using Cytoscape software.After obtaining the intersecting targets using the E Venn platform,the STRING database was imported to obtain the protein-protein interaction(PPI)network,and core targets were analyzed and selected using Cytoscape 3.9.1 software.The DAVID online analysis platform was used to perform gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)analyses on the intersecting targets.AutoDock Vina software was used to perform molecular docking of core components such as quercetin with key target proteins including tumor necrosis factor(TNF),interleukin-6(IL-6)and IL-17A.Results "The traditional Chinese medicine-active component-targets"network consisted of 18 active components,including quercetin,and 205 target genes.After intersecting the 205 drug targets with 659 disease targets,a total of 59 intersecting genes were obtained.The intersecting genes were primarily enriched in the IL-17 signaling pathway,TNF signaling pathway,and helper T cell 17(Th17)signaling pathways,involving 367 biological processes related to inflammatory responses and positive regulation of vascular endothelial growth factor(VEGF)production.They participated in 69 molecular functions and were mainly enriched in 29 cellular components.Molecular docking results showed that the core compound quercetin can interact with each of the key target proteins TNF,IL-6 and IL-17A,with the binding energy being less than-2 kcal/mol.Conclusion This study preliminarily reveals the molecular mechanisms of the Danggui and Honghua herb pairs in the treatment of psoriasis,providing theoretical reference for the mechanism research of blood-activating and stasis-resolving drugs for treating psoriasis.关键词
活血化瘀/当归-红花药对/银屑病/网络药理学/分子对接Key words
Blood-Activating and Stasis-Resolving/Danggui and Honghua herb pairs/Psoriasis/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
胡梦娇,张慧杰..基于网络药理学和分子对接的活血化瘀药对当归-红花调节IL-17信号通路治疗银屑病作用机制研究[J].中国中西医结合皮肤性病学杂志,2025,24(2):112-119,8.基金项目
天津市中医药研究院附属医院院内培育基金项目(编号:2022009). （编号:2022009）
