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在致癌性危险评估中的In silico方法:对pregabalin的案例研究,这是一种非毒性小鼠致癌物

Douglas A Keller¹, Arianna Bassan², Alexander Amberg³

¹Independent Consultant, Kennett Square, PA, United States.

Frontiers in toxicology

|November 29, 2023

概括

在 silico 模型中,难以预测普雷加巴林.

科学领域:

计算毒理学计算毒理学
在模型建模.
致癌性研究的研究.

背景情况:

在毒理学协议的目标是可重复的计算评估.
普雷加巴林在小鼠中是一种非毒性致癌物,可诱导血类瘤.
它的作用方式包括缺氧,氧化应激,炎症和细胞增殖.

研究的目的:

评估in silico模型对预测非毒性致癌性的有用性.
评估pregabalin致癌性的关键特征 (KCs) 的in silico模型可用性.
识别用于预测氧化应激,炎症和细胞增殖的计算工具中的差距.

主要方法:

使用了致癌物的十个关键特征框架.
调查了前加巴林作用机制的 in silico 模型的可用性.
基于实验数据,对现有的in silico模型进行了评估.

主要成果:

在Silico模型中,预测Pregabalin的非毒性致癌途径是有限的.
对于电友性 (KC1),基因毒性 (KC2) 和受体介导作用 (KC8) 存在模型,这些对pregabalin无关.
预测模型缺乏关键机制,如氧化应激 (KC5),慢性炎症 (KC6) 和细胞增殖 (KC10).

结论:

目前的in silico模型对预测非毒性致癌性的能力有限,正如pregabalin病例研究所示.
对氧化应激,炎症和细胞增殖的可靠计算工具的开发至关重要.
推进in silico模型至关重要,以减少对动物试验的依赖,以评估致癌性.

关键词:

在 silico 毒理学协议中.细胞的增殖细胞的增殖.慢性炎症是一种慢性炎症.作用的作用方式.非遗传毒性的致癌物.氧化应激是一种氧化应激.普雷加巴林 (Pregabalin) 是一种药物.

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