OECD QSAR工具箱软件在化学物质诱变效应预测中的应用

Khalidya Khizbulaevna Khamidulina, E. Tarasova, Mikhail Leonidovich Lastovetskiy
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引用次数: 1

摘要

介绍。在向市场推出新的化学产品时,需要对其对人类健康和环境的危害进行初步评估,包括具体和长期影响。考虑到接触对人体具有诱变作用的化学品的后果的医学和社会意义,对遗传毒性/诱变性的研究似乎极为重要。为了减少在动物身上进行的实验数量,计算方法正在积极引入毒理学实践,特别是OECD QSAR工具箱软件。因此,我们的研究目的是研究使用OECD QSAR工具箱软件预测化学物质致突变效应的可能性。材料和方法。OECD QSAR工具箱软件版本4.4.1。经合组织关于评估致突变效应的准则。结果和讨论。我们制定了“预测化学品致突变作用的指导方针”,其中包括详细的描述和在预测化学品致突变作用时与程序的合作。根据对经合组织关于评估化学品致突变潜力的文件的分析,选择了七个最广泛使用的试验,这些试验可以评估在存在/不存在代谢激活系统的情况下对各种试验对象的影响。对于方法,选择了在QSAR工具箱软件中必须设置才能开始计算的指标。还确定了最合适的数据库和分析器。结论。使用OECD QSAR工具箱软件进行预测是一种筛选方法,涉及使用各种类似物实验研究的结果进行多次计算,并随后对所获得的数据进行专家解释。
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Application of OECD QSAR Toolbox software for predicting the mutagenic effects of chemicals
Introduction. The introduction of new chemical products to the market requires a preliminary assessment of their danger to human health and the environment, including specific and long-term effects. Taking into account the medical and social significance of the consequences of exposure to chemicals with a mutagenic effect on the body, the study of genotoxicity / mutagenicity seems to be extremely relevant. In order to reduce the number of experiments performed on animals, calculation methods are being actively introduced into toxicological practice, in particular OECD QSAR Toolbox software. Therefore, the aim of our research was to study the possibility of using the OECD QSAR Toolbox software to predict the mutagenic effects of chemicals. Material and methods. OECD QSAR Toolbox software version 4.4.1., OECD guidelines on the assessment of the mutagenic effect. Results and discussion. We have developed the “Guidelines for predicting the mutagenic effects of chemicals”, which includes a detailed description and work with the program when predicting the mutagenic effects of chemicals. Based on the analysis of OECD documents on the assessment of the mutagenic potential of chemicals, seven most widely used tests were selected, which allow evaluating the effect on various test objects in the presence / absence of metabolic activation systems. For methods, indicators were selected that must be set to start the calculation in the QSAR Toolbox software. The most suitable databases and profilers were also indentified. Conclusion. Forecasting using the OECD QSAR Toolbox software is a screening method that involves performing several calculations using the results of various experimental studies for analogs, and subsequent expert interpretation of the data obtained.
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