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基于网络药理学和分子对接技术探讨益一痛风方治疗急性痛风性关节炎的潜在作用机制:综述。

Exploration of the potential mechanism of Yiyi Tongfeng Formula in the treatment of acute gouty arthritis based on network pharmacology and molecular docking: A review.

机构信息

College of Integrative Medicine, Changchun University of Chinese Medicine, Changchun, Jilin, China.

College of Traditional Chinese Medicine, Changchun University of Chinese Medicine, Changchun, Jilin, China.

出版信息

Medicine (Baltimore). 2024 Sep 13;103(37):e39609. doi: 10.1097/MD.0000000000039609.

Abstract

The global prevalence of gout is on the rise. Yiyi Tongfeng Formula (YTF), a traditional herbal compound, has gained recognition for its efficacy in managing acute gouty arthritis (AGA). Despite its widespread use, the underlying mechanisms of YTF in AGA treatment remain largely undefined. This study employed network pharmacology and molecular docking to elucidate these mechanisms. We utilized the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, SymMap database, and various literature sources to identify active components and corresponding targets of YTF. Relevant AGA-associated targets were identified through the Genecards, Drugbank, Therapeutic Target Database, and Online Mendelian Inheritance in Man databases. A protein-protein interaction network was constructed to delineate interactions between YTF targets and AGA. Key ingredients and central targets were further analyzed using Cytoscape. Functional enrichment analyses, including Gene Ontology and Kyoto Encyclopedia of Genes and Genomes, were conducted via Metascape. Additionally, molecular docking studies were performed using PyMOL and AutoDock4. It was found that quercetin, kaempferol, and luteolin may be the main active components of YTF for AGA treatment. Gene Ontology enrichment analysis shows that the main biological processes involved are cellular responses to lipids, and inflammatory responses. Kyoto Encyclopedia of Genes and Genomes enrichment analysis suggests the involvement of the IL-17 signaling pathway, AGE-RAGE signaling pathway in diabetic complications, TNF signaling pathway, and so on. The findings suggest a multi-faceted therapeutic approach of YTF in treating AGA, involving multiple components, targets, biological processes, and signaling pathways. This comprehensive mechanism offers a foundation for further experimental validation.

摘要

全球范围内痛风的患病率呈上升趋势。益痛风方(YTF)是一种传统的中草药复方,已被证明在治疗急性痛风性关节炎(AGA)方面具有疗效。尽管 YTF 被广泛应用,但它在 AGA 治疗中的潜在机制在很大程度上仍未得到阐明。本研究采用网络药理学和分子对接的方法来阐明这些机制。我们利用中药系统药理学数据库与分析平台、SymMap 数据库和各种文献来源,确定 YTF 的活性成分和相应的靶点。通过 Genecards、Drugbank、Therapeutic Target Database 和 Online Mendelian Inheritance in Man 数据库,确定与 AGA 相关的靶点。构建蛋白质-蛋白质相互作用网络以描绘 YTF 靶点与 AGA 之间的相互作用。进一步使用 Cytoscape 分析关键成分和核心靶点。通过 Metascape 进行基因本体论和京都基因与基因组百科全书的功能富集分析。此外,还使用 PyMOL 和 AutoDock4 进行了分子对接研究。研究发现,槲皮素、山柰酚和木犀草素可能是 YTF 治疗 AGA 的主要活性成分。基因本体论富集分析表明,主要的生物学过程涉及细胞对脂质的反应和炎症反应。京都基因与基因组百科全书富集分析表明,涉及白细胞介素 17 信号通路、糖尿病并发症中的 AGE-RAGE 信号通路、肿瘤坏死因子信号通路等。研究结果表明,YTF 治疗 AGA 具有多方面的治疗作用,涉及多个成分、靶点、生物学过程和信号通路。这一综合机制为进一步的实验验证提供了基础。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/80c3/11404889/80d8f54c3ebf/medi-103-e39609-g001.jpg

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