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

IF 3.1 4区 医学 Q2 PHARMACOLOGY & PHARMACY Naunyn-Schmiedeberg's archives of pharmacology Pub Date : 2025-07-01 Epub Date: 2025-01-23 DOI:10.1007/s00210-024-03694-4
Hashim Ndaman Muhammad, Abdullahi Sani Yahaya, Hamdalat Folake Muritala
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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.

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国家食品药品监督管理总局对禁用农药的定量构效关系(QSAR)危害评价。
本研究对尼日利亚禁用农药进行了定量的构效关系危害评估,以期确定这些农药造成的危害。结构-活性关系(SARs)和定量结构-活性关系(QSARs)将化合物的化学结构与其生物活性联系起来,可用于创造更安全,更有效的杀虫剂,优先考虑测试化学品,并减少整个监管过程中必要的动物研究数量。在VEGA软件上对禁用农药进行QSAR危害评估。环境,(生态)毒理学,生殖/发育,身体消除半衰期,以及人类和生态相关的生物降解性模型在VEGA软件中实现。研究结果预测了每种禁用农药的不同危害。据预测,所有被禁用的农药对部分或全部评估终点都是有毒的。研究预测这些农药对生殖系统和胎儿发育具有不同半衰期的致突变性、致癌性和/或毒性。评价进一步预测这些化合物大部分是不可生物降解的,在生物和环境中有生物积累的趋势。可以得出结论,这些农药对生命和环境有潜在的危害。这些化合物在家庭、工业和农业应用中的使用应符合监管机构的指导方针。
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来源期刊
CiteScore
6.20
自引率
5.60%
发文量
142
审稿时长
4-8 weeks
期刊介绍: Naunyn-Schmiedeberg''s Archives of Pharmacology was founded in 1873 by B. Naunyn, O. Schmiedeberg and E. Klebs as Archiv für experimentelle Pathologie und Pharmakologie, is the offical journal of the German Society of Experimental and Clinical Pharmacology and Toxicology (Deutsche Gesellschaft für experimentelle und klinische Pharmakologie und Toxikologie, DGPT) and the Sphingolipid Club. The journal publishes invited reviews, original articles, short communications and meeting reports and appears monthly. Naunyn-Schmiedeberg''s Archives of Pharmacology welcomes manuscripts for consideration of publication that report new and significant information on drug action and toxicity of chemical compounds. Thus, its scope covers all fields of experimental and clinical pharmacology as well as toxicology and includes studies in the fields of neuropharmacology and cardiovascular pharmacology as well as those describing drug actions at the cellular, biochemical and molecular levels. Moreover, submission of clinical trials with healthy volunteers or patients is encouraged. Short communications provide a means for rapid publication of significant findings of current interest that represent a conceptual advance in the field.
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