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基于不良结果途径和经合组织框架的特拉津的内分泌干扰活性测试和评估的综合方法

Ngoc Minh-Hong Hoang¹, Kwangsik Park¹

¹College of Pharmacy, Dongduk Women's University, Seoul, 02748, Republic of Korea.

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

|November 26, 2025

概括

食物染料塔特拉 (TTZ) 可能会破坏多种激素系统,包括雌激素,雄激素和甲状腺轴. 这项研究使用了计算方法来预测TTZ在核受体上的内分泌干扰潜力.

科学领域:

环境毒理学环境毒理学
计算化学计算化学
内分泌学在内分泌学.

背景情况:

色素 (TTZ) 是一种合成的色素,在许多产品中发现,具有已知的健康问题.
以前的研究表明,TTZ可能会影响雌激素,雄激素和甲状腺功能.
缺乏对TTZ对所有核受体的影响的全面评估.

研究的目的:

对TTZ的内分泌干扰潜力进行综合的in silico评估.
研究TTZ与参与激素调节的各种核受体的相互作用.
整合现有数据并预测TTZ对雌激素,雄激素和甲状腺轴的影响.

主要方法:

使用多个in silico工具,包括对接模拟 (内分泌干扰,CB-Dock2,AutoDock Vina).
使用基于机器学习的资源 (ADMETlab3.0,ProTox-3.0,CERAPP/CoMPARA,EDC-Predictor) 来进行内分泌活动预测.
集成计算发现与ToxCast,SwissTargetPrediction和PharmMapper数据,与不良结果途径 (AOPs) 保持一致.

主要成果:

TTZ对几个核受体表现出潜在的结合和活性,包括雄激素受体 (AR),雌激素受体α (ERα),甲状腺受体 (TRα/β) 等,但不包括ERβ.
ToxCast数据证实了AR,ERα,TR,RXR和阿里碳水化合物受体 (AhR) 的活性.
计算预测表明,TTZ主要通过与癌症有关的途径影响生殖和甲状腺毒性.

结论:

这项研究提供了对TTZ在多个核受体内的内分泌干扰潜力的全面的形评估.
研究结果表明,TTZ可能会干扰雌激素,雌激素和甲状腺信号通路.
结果强调需要进一步系统地调查TTZ的内分泌干扰作用,考虑到经合组织的指导方针.

关键词:

在 AOP AOP 中.内分泌干扰干扰内分泌系统国际航空交通协会 (IATA) 的在状的中.塔特拉зин是一种酸盐.

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