The Use of Computational Methods in the Toxicological Assessment of Chemicals in Food: Current Status and Future Prospects
The Use of Computational Methods in the Toxicological Assessment of Chemicals in Food: Current Status and Future Prospects
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DOI：
10.2788/6234
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发表时间：
2011
影响因子：
5.6
通讯作者：
Andrew Paul Worth;M. Fuart‐Gatnik;S. Lapenna;E. L. Piparo;A. Mostrag-Szlichtyng;R. Serafimova
中科院分区：
文献类型：
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作者：
Andrew Paul Worth;M. Fuart‐Gatnik;S. Lapenna;E. L. Piparo;A. Mostrag-Szlichtyng;R. Serafimova
许多化学物质被有意添加到或无意中发现在食品中，通常是非常少量的。根据具体情况，由于成本、时间和动物福利等原因，可能无法获得或无法获得完成膳食风险评估所需的实验数据，而膳食风险评估是保护人类健康的科学依据。例如，常常缺乏农药活性成分的代谢物和降解产物的毒性数据。因此，有兴趣在开发和应用的高效和有效的非动物方法来评估化学品毒性，包括定量构效关系（QSAR）模型和相关的计算方法。本报告概述了国家监管机构、国际咨询组织和食品行业目前如何在食品安全领域使用计算方法。在国际调查、全面的文献综述和详细的QSAR分析的基础上，提出了一系列建议，其长期目标是促进明智地使用合适的QSAR方法。综述了定量构效关系方法的现状，不仅包括与膳食风险评估相关的毒理学终点，还包括吸收、分布、代谢和排泄（ADME）性质，这些性质在区分母体化合物及其反应产物的毒理学特征方面往往很重要。通过参考毒理学关注阈值（TTC）的概念，风险评估的背景下，QSAR方法可以预期使用进行了讨论。本报告提供了JRC根据欧洲食品安全局（EFSA）授予的合同条款进行的一项研究中获得的结果的总结和更新。如何获得欧盟出版物我们的定价出版物可从欧盟书店（http：//bookshop.europa.eu）购买，您可以向您选择的销售代理订购。出版物办公室有一个世界性的销售代理网络。您可以通过发送传真至（352）29 29-42758获得他们的联系方式。联合研究中心的使命是为欧盟政策的构思、制定、实施和监测提供以客户为导向的科学和技术支持。作为欧盟委员会的一个部门，JRC是欧盟的科学和技术参考中心。它接近决策过程，符合会员国的共同利益，同时独立于私人或国家的特殊利益。LB -N A-2448-EN -C
A wide range of chemicals are intentionally added to, or unintentially found in, food products, often in very small amounts. Depending on the situation, the experimental data needed to complete a dietary risk assessment, which is the scientific basis for protecting human health, may not be available or obtainable, for reasons of cost, time and animal welfare. For example, toxicity data are often lacking for the metabolites and degradation products of pesticide active ingredients. There is therefore an interest in the development and application of efficient and effective non-animal methods for assessing chemical toxicity, including Quantitative StructureActivity Relationship (QSAR) models and related computational methods. This report gives an overview of how computational methods are currently used in the field of food safety by national regulatory bodies, international advisory organisations and the food industry. On the basis of an international survey, a comprehensive literature review and a detailed QSAR analysis, a range of recommendations are made with the long-term aim of promoting the judicious use of suitable QSAR methods. The current status of QSAR methods is reviewed not only for toxicological endpoints relevant to dietary risk assessment, but also for Absorption, Distribution, Metabolism and Excretion (ADME) properties, which are often important in discriminating between the toxicological profiles of parent compounds and their reaction products. By referring to the concept of the Threshold of Toxicological Concern (TTC), the risk assessment context in which QSAR methods can be expected to be used is also discussed. This report provides a summary and update of the findings obtained in a study carried out by the JRC under the terms of a contract awarded by the European Food Safety Authority (EFSA). How to obtain EU publications Our priced publications are available from EU Bookshop (http://bookshop.europa.eu), where you can place an order with the sales agent of your choice. The Publications Office has a worldwide network of sales agents. You can obtain their contact details by sending a fax to (352) 29 29-42758. The mission of the JRC is to provide customer-driven scientific and technical support for the conception, development, implementation and monitoring of EU policies. As a service of the European Commission, the JRC functions as a reference centre of science and technology for the Union. Close to the policy-making process, it serves the common interest of the Member States, while being independent of special interests, whether private or national. LB -N A -2448-EN -C