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国家食品药品监督管理局对禁用农药进行的定量构效关系(QSAR)危害评估。

Quantitative structure-activity relationship (QSAR) hazard assessment of the banned pesticides by the National Agency for Food and Drugs Administration and Control.

作者信息

Muhammad Hashim Ndaman, Yahaya Abdullahi Sani, Muritala Hamdalat Folake

机构信息

Department of Biochemistry, University of Ilorin, Kwara State, Ilorin, Nigeria.

Department of Biochemistry and Molecular Biology, Federal University Dutsin-Ma, Dutsin-Ma, Katsina State, Nigeria.

出版信息

Naunyn Schmiedebergs Arch Pharmacol. 2025 Jan 23. doi: 10.1007/s00210-024-03694-4.

Abstract

This study carried out a quantitative structure-activity relationship hazard assessment of the banned pesticides in Nigeria with a view of identifying the dangers posed by these pesticides. Structure-activity relationships (SARs) and quantitative structure-activity relationships (QSARs), which link a compound's chemical structure to its biological activity, can be used to create safer and more effective insecticides, prioritize chemicals for testing, and reduce the number of animal studies necessary throughout the regulatory process. The QSAR hazard assessment of the banned pesticides was carried out on the VEGA software. Environmental, (eco)toxicological, reproductive/developmental, body elimination half-life, and biodegradability models of human and ecological relevance were implemented within the VEGA software. The results predicted the different hazards associated with each of the banned pesticides. All of the banned pesticides have been predicted to be toxic to some or all of the evaluated endpoints. The studies predicted these pesticides to have potential of being mutagenic, carcinogenic, and/or toxic to the reproductive system and fetal development with different half-lives. The assessment further predicted most of these compounds to be non-biodegradable with tendencies to bioaccumulate in living things and the environment. It can be concluded that these pesticides have potential to cause harm to life and the environment. The use of these chemical compounds for domestic, industrial, and agricultural applications should be in accordance with the guideline of regulatory agencies.

摘要

本研究对尼日利亚的禁用农药进行了定量构效关系危害评估,旨在确定这些农药所带来的危险。构效关系(SARs)和定量构效关系(QSARs)将化合物的化学结构与其生物活性联系起来,可用于创制更安全、更有效的杀虫剂,确定化学品测试的优先级,并减少整个监管过程中所需的动物研究数量。在VEGA软件上对禁用农药进行了QSAR危害评估。VEGA软件中实施了与人类和生态相关的环境、(生态)毒理学、生殖/发育、人体消除半衰期和生物降解性模型。结果预测了与每种禁用农药相关的不同危害。所有禁用农药预计对部分或所有评估终点具有毒性。研究预测这些农药具有不同半衰期的致突变性、致癌性和/或对生殖系统及胎儿发育有毒性的可能性。评估还预测这些化合物大多不可生物降解,有在生物和环境中生物累积的趋势。可以得出结论,这些农药有可能对生命和环境造成危害。将这些化合物用于家庭、工业和农业用途应遵循监管机构的指导方针。

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