Benigni Romualdo, Bossa Cecilia
Dipartimento di Tecnologie e Salute, Istituto Superiore di Sanità, Rome, Italy.
Ann Ist Super Sanita. 2006;42(2):118-26.
Chemical carcinogenicity has been the target of numerous attempts to create predictive models alternative to the animal ones, ranging from short-term biological assays (e.g. mutagenicity tests) to theoretical models. Among the theoretical models, the application of the science of structure-activity relationships (SAR) has earned special prominence. The qualitative approach to SAR has lead to the identification of a large number of reactive chemical substructures that are both mutagenic and carcinogenic. More sophisticated developments are the quantitative structure-activity relationship (QSAR) models, that link the physical chemical or structural properties of the molecules to the toxicological endpoints. Both approaches provide strong support to the process of risk assessment of the chemicals, especially in the phase of priority setting. Among the areas potentially able to contribute to further developments of (Q)SAR, the novel chemical relational databases are presented and discussed. The freely downloadable ISSCAN database on chemical carcinogens is presented.
化学致癌性一直是众多尝试建立替代动物模型的预测模型的目标，这些尝试涵盖从短期生物学检测（如致突变性测试）到理论模型等多种方法。在理论模型中，结构-活性关系（SAR）科学的应用尤为突出。SAR的定性方法已导致识别出大量具有致突变性和致癌性的反应性化学亚结构。更复杂的发展是定量结构-活性关系（QSAR）模型，它将分子的物理化学或结构性质与毒理学终点联系起来。这两种方法都为化学品风险评估过程提供了有力支持，尤其是在确定优先级阶段。在可能有助于（Q）SAR进一步发展的领域中，介绍并讨论了新型化学关系数据库。还介绍了可免费下载的关于化学致癌物的ISSCAN数据库。
