微毒毒素:一个交互式数据库,用于预测菌毒素的变异性,基因毒性和致癌性
Josefa Tolosa1, Eva Serrano Candelas2, José Luis Vallés Pardo2
1Laboratory of Food Chemistry and Toxicology, Faculty of Pharmacy, University of Valencia, Av. Vicent Andrés Estellés, Burjasot, 46100 Valencia, Spain.
Toxins
|June 27, 2023
概括
这项研究开发了一个全面的数据库和预测模型,用于真菌毒素毒性. 这些工具有助于评估未受监管的食品污染物的风险,如致癌性和致癌性菌毒素.
科学领域:
- 食品安全 食品安全
- 毒理学 毒理学 毒理学
- 计算化学是一种计算化学.
背景情况:
- 菌毒素,真菌代谢产物,污染食品,并构成公共卫生风险 (致癌,致变性).
- 数百种真菌毒素存在,但由于毒性数据有限,很少受到监管.
- 需要对食源性真菌毒素进行全面的毒性评估.
研究的目的:
- 建立一个全面的真菌毒素数据库,并开发预测性毒性模型.
- 评估菌毒素的致变性,遗传毒性和致癌性.
- 为毒素风险评估提供符合监管的工具.
主要方法:
- 在170个类别中创建了4360种真菌毒素的数据库.
- 开发了用于毒性预测的定量结构-活性关系 (QSAR) 模型.
- 确保的QSAR模型符合经合组织的监管标准,并将其集成到Web服务器中.
主要成果:
- 产生了强大的QSAR模型,具有高精度,精度,灵敏度和特异性.
- 开发的模型符合经合组织对危险评估的监管标准.
- 创建了一个Web服务器,用于探索真菌毒素数据库并预测毒性.
结论:
- 开发的QSAR模型和Web服务器为评估真菌毒素风险提供了宝贵的资源.
- 这个工具帮助科学家,行业和监管机构选不受管制的真菌毒素.
- 促进加强对食品传播菌根毒素污染的公共卫生保护.
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