一份关于对新出现的制药污染物所带来的环境风险的in silico预测的审查

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Jian Gao¹, Jinru Zhao¹, Xintong Chen¹

¹Institute of Pharmaceutical Innovation, Hubei Province Key Laboratory of Occupational Hazard Identification and Control, School of Medicine, Wuhan University of Science and Technology, Wuhan, 430065, China.

Environmental monitoring and assessment

|November 26, 2023

概括

在不进行动物试验的情况下,in silico方法对评估制药污染物 (PEC) 的环境风险充满希望. 然而,缺乏标准化的模型,预测复杂的环境暴露和混合物仍然存在挑战.

科学领域:

环境科学环境科学
毒理学毒理学毒理学
计算化学计算化学

背景情况:

制药新兴污染物 (PEC) 构成环境风险,通常有有限的毒性数据.
计算机辅助 (in silico) 预测为选这些风险提供了一种具有成本效益,无动物的方法.
自2021年以来,对PECs的in silico方法的研究兴趣急剧增加.

研究的目的:

审查最近关于应用in silico方法来预测PECs的环境风险的见解.
在这个快速发展的领域中识别当前的趋势,方法和挑战.

主要方法:

从8个国家对2018年以来发表的20篇文章进行了系统审查.
对用于预测生物积累,生物降解性,毒性和人类健康危害的in silico方法的分析.
检查高级生物信息学方法,如转录学和网络药理学.

主要成果:

在 silico 方法越来越多地用于各种终点,包括生态毒性和人类健康影响.
正在使用先进的生物信息学方法来同时评估多种风险.
有各种各样的in silico工具正在使用,但没有标准化模型用于PECs的环境风险评估 (ERA).
对于PECs的ERA的in silico预测是新生的,在计算暴露度,混合物相互作用和开发特定模型方面面临挑战.

结论:

在 silico 预测对于药品新兴污染物 (PEC) 的环境风险评估 (ERA) 具有重大潜力.
该领域正在迅速发展,但需要进一步发展,标准化和验证,以应对混合物效应和暴露相关性等关键挑战.
未来的研究应该专注于为PECs的ERA创建强大的,特定的in silico模型,以确保可靠的环境保护.

关键词:

数据库数据库数据库是一个数据库.环境风险评估环境风险评估在状的中.制药新兴污染物新兴污染物风险评估平台是一个风险评估平台.

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