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潜在的甲状腺破坏性化学物质的代谢后活动综合评估系统

Yurim Jang¹, Ji Hyun Moon², Byung Kwan Jeon³

¹Interdisciplinary Program in Agricultural Genomics, Seoul National University, Seoul 08826, Republic of Korea.

Journal of microbiology and biotechnology

|July 6, 2023

概括

这项研究引入了一个新的工作流程,以识别破坏内分泌的化学代谢物,破坏激素平衡. 该系统准确地预测甲状腺激素受体在代谢后化合物中的对抗性活性.

科学领域:

环境毒理学环境毒理学
代谢学代谢学代谢学
内分泌学在内分泌学.

背景情况:

内分泌干扰化学物质 (EDCs) 干扰荷尔蒙平衡.
肝酶对EDC的代谢可以产生具有改变转录活动的活性代谢物.
评估这些代谢物的内分泌干扰潜力至关重要.

研究的目的:

开发一个综合的工作流程来评估化学品的代谢后内分泌干扰活性.
为了确定表现出荷尔蒙干扰的特定代谢物.
用已知的甲状腺激素受体 (THR) 激素和抗剂验证工作流.

主要方法:

结合MS/MS相似性网络和基于肝脏酶反应的预测生物转化的一种整合性工作流.
在体外代谢模块使用S9分数来评估13种化学物质的转录活性.
分子网络分析和子网络分析用于识别和注释生物转化剂.

主要成果:

确定了三种THR主动化合物,在代谢后显著增加了转录活动 (T3,DITPA,GC-1).
对这些THR激动剂观察到常见的II期生物转化模式 (葡萄糖,硫酸盐,GSH,氨基酸结合).
发现了脂质和类似脂质的分子作为T3的丰富生物转化剂;提出了14个额外的特征,包括T4.

结论:

开发的评估系统准确地预测EDC衍生代谢物的甲状腺破坏性活性.
工作流程成功地确定了新的生物转化剂,并阐明了THR主导性负化合物的独特代谢概况.
这种方法为评估与EDC代谢产物相关的风险提供了一个强大的工具.

关键词:

破坏甲状腺的化学物质.生物转化剂预测预测代谢生物组的代谢生物组分子网络是分子网络.记者基因检测分析

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