首页|基于网络药理学和分子对接技术探讨薏苡仁汤治疗膝骨关节炎的分子机制

基于网络药理学和分子对接技术探讨薏苡仁汤治疗膝骨关节炎的分子机制

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目的 探讨薏苡仁汤治疗膝骨关节炎(KOA)的作用靶点及分子机制,为临床应用提供依据。方法 利用中药系统药理学数据库与分析平台(TCMSP)数据库筛选薏苡仁汤的有效成分及相关靶基因,整合多个疾病数据库获取KOA相关靶基因,筛选交集靶点并进行蛋白质相互作用(PPI)分析、GO和KEGG富集分析;采用Cytoscape软件构建"中药-活性成分-靶点"调控网络,最后进行分子对接验证。结果 筛选得到 1 708 个活性成分和17 069 个靶基因,涉及白细胞介素-17(IL-17)信号通路、肿瘤坏死因子(TNF)信号通路等通路。薏苡仁汤通过调控软骨细胞分化与衰老、抑制炎症因子提高人体免疫功能,进而达到治疗KOA的目的。结论 薏苡仁汤在治疗KOA时具有"多成分、多靶基因和多通路协同作用"的分层网络特征,通过减少整体炎症反应,调整关节软骨的内环境及延缓退化,为后续实验研究提供方向。
Molecular mechanism of Yiyiren decoction in the treatment of knee osteoarthritis based on network pharmacology and molecular docking technique
Objective To explore the target and molecular mechanism of Yiyiren decoction in the treatment of knee osteoarthritis(KOA),and to provide basis for clinical application.Methods Traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)database was used to screen the effective components and related target genes of Yiyiren decoction,multiple disease databases were integrated to obtain KOA-related target genes,and the intersection targets were screened for protein-protein interaction(PPI)analysis,GO and KEGG enrichment analysis;Cytoscape software was used to construct the"Chinese medicine-active ingredient-target"regulatory network,and finally molecular docking verification was performed.Results A total of 1 708 active components and 17 069 target genes were screened,involving interleukin-17(IL-17)signaling pathway,tumor necrosis factor(TNF)signaling pathway and other pathways.The purpose of Yiyiren decoction treating KOA was achieved by regulating chondrocyte differentiation and aging and inhibiting inflammatory factors to improve human immune function.Conclusion Y iyire n decoction has the hierarchical network characteristics of multi-component,multi-target gene and multi-pathway synergy in the treatment of KOA.It can reduce the overall inflammatory response,adjust the internal environment of articular cartilage,delay degradation,and provide direction for subsequent experimental research.

Yiyiren decoctionknee osteoarthritisnetwork pharmacologybioinformaticsmolecular docking technique

席敬琪、翁晨祎、翁华宏、王勇、孟林、李宏宇

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广西中医药大学,广西 南宁,530200

广西骨伤医院,广西 南宁,530012

薏苡仁汤 膝骨关节炎 网络药理学 生物信息学 分子对接技术

广西自然科学基金项目2022年广西青年岐黄学者培养项目

2023GXNSFAA026208桂中医药科教发[2022]13号

2024

临床医学研究与实践

临床医学研究与实践

ISSN:
年,卷(期):2024.9(1)
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