运用网络药理学、分子对接、体外分析等方法探讨马齿苋类药物治疗白癜风的分子机制。

IF 3.4 3区 医学 Q2 MEDICINE, RESEARCH & EXPERIMENTAL
Molecular medicine reports Pub Date : 2025-05-01 Epub Date: 2025-03-07 DOI:10.3892/mmr.2025.13482
Xueying Zhang, Lele Meng, Xiaorong Ran, Shuang Li, Changhui Wen
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引用次数: 0

摘要

马齿苋是一种传统中药,在治疗白癜风等皮肤病方面有着悠久的疗效历史。然而,其治疗白癜风的分子机制尚不清楚。因此,本研究采用网络药理学、分子对接和体外实验等方法探讨其作用机制。经筛选,鉴定出山奈酚、橙皮素、木犀草素、槲皮素、花生四烯酸、环蒿烯醇和β -谷甾醇7种主要活性成分。此外,我们还发现了AKT1、肿瘤蛋白p53、过氧化物酶体增殖物激活受体γ (PPARG)、雌激素受体1、前列腺素内过氧化物酶合成酶2和丝裂原激活蛋白激酶1等6个关键靶点和8条马尾草治疗白癜风的途径。网络药理学和分子对接研究表明,黄酮类化合物是马齿苋中可能减轻白癜风氧化应激损伤的关键成分。基因本体和京都基因与基因组富集分析显示,磷脂酰肌醇3激酶(PI3K)/AKT、p53和PPARG信号通路与马齿苋成分和白癜风有关。体外实验表明,马齿苋总黄酮(PTF)可提高H2O2诱导的B16F10细胞的细胞活力,降低ROS水平,提高抗氧化酶活性。此外,PTF在H2O2诱导的B16F10细胞中激活PI3K/AKT信号通路,并且PTF的抗氧化作用被PI3K/AKT抑制剂减弱。总之,本研究结果表明,马齿苋类黄酮通过PI3K/AKT信号通路减轻黑色素细胞氧化应激,至少在一定程度上有助于白癜风的治疗效果。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Investigating the molecular mechanism of purslane‑based vitiligo treatment using network pharmacology, molecular docking and in vitro analyses.

Purslane is a traditional Chinese medicine with a long‑standing history of efficacy in the management of dermatological conditions such as vitiligo. However, the molecular mechanisms underlying its therapeutic effects on vitiligo remain unclear. Therefore, the present study explored these mechanisms using network pharmacology, molecular docking and in vitro experiments. Following the screening process, seven principal active components were identified, namely kaempferol, hesperetin, luteolin, quercetin, arachidonic acid, cycloartenol and β‑sitosterol. In addition, six key targets, namely AKT1, tumor protein p53, peroxisome proliferator‑activated receptor γ (PPARG), estrogen receptor 1, prostaglandin‑endoperoxidase synthase 2 and mitogen‑activated protein kinase 1, and eight pathways in purslane‑based vitiligo treatment were identified. Network pharmacology and molecular docking demonstrated that flavonoids are the key components of purslane likely to mitigate oxidative stress damage in vitiligo. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses revealed that the phosphatidylinositol 3‑kinase (PI3K)/AKT, p53 and PPARG signaling pathways are associated with purslane components and vitiligo. In vitro experiments revealed that purslane total flavones (PTF) increased cell viability, decreased ROS levels and increased antioxidant enzyme activities in H2O2‑induced B16F10 cells. In addition, PTF activated the PI3K/AKT signaling pathway in H2O2‑induced B16F10 cells, and the antioxidant effect of PTF was attenuated by a PI3K/AKT inhibitor. In conclusion, the findings of the present study suggest that the flavonoids of purslane contribute, at least in part, to its therapeutic effectiveness in vitiligo by mitigating oxidative stress in melanocytes through the PI3K/AKT signaling pathway.

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来源期刊
Molecular medicine reports
Molecular medicine reports 医学-病理学
CiteScore
7.60
自引率
0.00%
发文量
321
审稿时长
1.5 months
期刊介绍: Molecular Medicine Reports is a monthly, peer-reviewed journal available in print and online, that includes studies devoted to molecular medicine, underscoring aspects including pharmacology, pathology, genetics, neurosciences, infectious diseases, molecular cardiology and molecular surgery. In vitro and in vivo studies of experimental model systems pertaining to the mechanisms of a variety of diseases offer researchers the necessary tools and knowledge with which to aid the diagnosis and treatment of human diseases.
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