通过网络药理学、分子对接、实验验证等方法探讨淫羊藿治疗类风湿关节炎的分子机制。

IF 3.9 2区 化学 Q2 CHEMISTRY, APPLIED Molecular Diversity Pub Date : 2025-01-16 DOI:10.1007/s11030-024-11019-z
Chunhui Ding, Qingyang Liu, Xiaohong You, Jianming Yuan, Jinjun Xia, Yuan Tan, Yunxia Hu, Qiubo Wang
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引用次数: 0

摘要

本研究旨在探讨淫羊藿治疗类风湿性关节炎(RA)的分子机制。我们采用网络药理学、分子对接、高效液相色谱分析等方法探讨EH治疗类风湿性关节炎的分子机制。为了评估EH干预的效果,采用RA成纤维细胞样滑膜细胞(RA- fls)和胶原诱导关节炎(CIA)小鼠模型。最终,我们鉴定出了淫羊藿苷、木犀草素、槲皮素和山奈酚等活性化合物,白细胞介素-1β (IL-1β)、IL-6、肿瘤坏死因子-α (TNF-α)和基质金属蛋白酶-9 (MMP-9)是EH治疗RA的关键靶点。在体外和体内实验中,这些靶标在EH干预后都被下调。此外,EH治疗可诱导CIA小鼠的细胞凋亡,减少RA-FLS的转移和侵袭,改善关节炎相关症状,同时调节Th17和Treg细胞。
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Investigating the molecular mechanism of epimedium herb in treating rheumatoid arthritis through network pharmacology, molecular docking, and experimental validation.

This study attempted to explore the molecular mechanism of Epimedium herb (EH) on rheumatoid arthritis (RA) treatment. We employed network pharmacology, molecular docking, and HPLC analysis to investigate the molecular mechanisms underlying the efficacy of EH in treating RA. To assess the efficacy of EH intervention, RA fibroblast-like synoviocytes (RA-FLS) and collagen-induced arthritis (CIA) mouse models were utilized. Ultimately, the active compounds icariin, luteolin, quercetin, and kaempferol were identified, with interleukin-1β (IL-1β), IL-6, tumor necrosis factor-alpha (TNF-α), and matrix metalloproteinase-9 (MMP-9) emerging as key targets of EH for RA. These targets were found to be downregulated in both in vitro and in vivo experiments following EH intervention. Furthermore, EH treatment induced apoptosis, reduced metastasis and invasion in RA-FLS, and ameliorated arthritis-related symptoms while regulating Th17 and Treg cells in CIA mice.

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来源期刊
Molecular Diversity
Molecular Diversity 化学-化学综合
CiteScore
7.30
自引率
7.90%
发文量
219
审稿时长
2.7 months
期刊介绍: Molecular Diversity is a new publication forum for the rapid publication of refereed papers dedicated to describing the development, application and theory of molecular diversity and combinatorial chemistry in basic and applied research and drug discovery. The journal publishes both short and full papers, perspectives, news and reviews dealing with all aspects of the generation of molecular diversity, application of diversity for screening against alternative targets of all types (biological, biophysical, technological), analysis of results obtained and their application in various scientific disciplines/approaches including: combinatorial chemistry and parallel synthesis; small molecule libraries; microwave synthesis; flow synthesis; fluorous synthesis; diversity oriented synthesis (DOS); nanoreactors; click chemistry; multiplex technologies; fragment- and ligand-based design; structure/function/SAR; computational chemistry and molecular design; chemoinformatics; screening techniques and screening interfaces; analytical and purification methods; robotics, automation and miniaturization; targeted libraries; display libraries; peptides and peptoids; proteins; oligonucleotides; carbohydrates; natural diversity; new methods of library formulation and deconvolution; directed evolution, origin of life and recombination; search techniques, landscapes, random chemistry and more;
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