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Toward Nano-Specific In Silico NAMs: How to Adjust Nano-QSAR to the Recent Advancements of Nanotoxicology?
Small ( IF 13.0 ) Pub Date : 2023-09-29 , DOI: 10.1002/smll.202305581
Krzesimir Ciura 1, 2 , Elisa Moschini 3 , Maciej Stępnik 2 , Tommaso Serchi 3 , Arno Gutleb 3 , Kamila Jarzyńska 4 , Karolina Jagiello 2, 4 , Tomasz Puzyn 2, 4
Small ( IF 13.0 ) Pub Date : 2023-09-29 , DOI: 10.1002/smll.202305581
Krzesimir Ciura 1, 2 , Elisa Moschini 3 , Maciej Stępnik 2 , Tommaso Serchi 3 , Arno Gutleb 3 , Kamila Jarzyńska 4 , Karolina Jagiello 2, 4 , Tomasz Puzyn 2, 4
Affiliation
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The rapid development of engineered nanomaterials (ENMs) causes humans to become increasingly exposed to them. Therefore, a better understanding of the health impact of ENMs is highly demanded. Considering the 3Rs (Replacement, Reduction, and Refinement) principle, in vitro and computational methods are excellent alternatives for testing on animals. Among computational methods, nano-quantitative structure-activity relationship (nano-QSAR), which links the physicochemical and structural properties of EMNs with biological activities, is one of the leading method. The nature of toxicological experiments has evolved over the last decades; currently, one experiment can provide thousands of measurements of the organism's functioning at the molecular level. At the same time, the capacity of the in vitro systems to mimic the human organism is also improving significantly. Hence, the authors would like to discuss whether the nano-QSAR approach follows modern toxicological studies and takes full advantage of the opportunities offered by modern toxicological platforms. Challenges and possibilities for improving data integration are underlined narratively, including the need for a consensus built between the in vitro and the QSAR domains.
中文翻译：
迈向纳米特异性计算机 NAM：如何调整纳米 QSAR 以适应纳米毒理学的最新进展？
工程纳米材料（ENM）的快速发展导致人类越来越多地接触它们。因此，迫切需要更好地了解 ENM 对健康的影响。考虑到 3R（替换、减少和细化）原则，体外和计算方法是动物测试的绝佳替代方法。在计算方法中，纳米定量构效关系（nano-QSAR）将EMN的理化和结构特性与生物活性联系起来，是领先的方法之一。毒理学实验的性质在过去几十年中不断发展。目前，一项实验可以在分子水平上提供数千种生物体功能的测量结果。与此同时，体外系统模仿人体的能力也在显着提高。因此，作者想讨论纳米 QSAR 方法是否遵循现代毒理学研究并充分利用现代毒理学平台提供的机会。叙述性地强调了改进数据集成的挑战和可能性，包括在体外和 QSAR 领域之间建立共识的必要性。
更新日期：2023-09-29
中文翻译：
迈向纳米特异性计算机 NAM：如何调整纳米 QSAR 以适应纳米毒理学的最新进展？
工程纳米材料（ENM）的快速发展导致人类越来越多地接触它们。因此，迫切需要更好地了解 ENM 对健康的影响。考虑到 3R（替换、减少和细化）原则，体外和计算方法是动物测试的绝佳替代方法。在计算方法中，纳米定量构效关系（nano-QSAR）将EMN的理化和结构特性与生物活性联系起来，是领先的方法之一。毒理学实验的性质在过去几十年中不断发展。目前，一项实验可以在分子水平上提供数千种生物体功能的测量结果。与此同时，体外系统模仿人体的能力也在显着提高。因此，作者想讨论纳米 QSAR 方法是否遵循现代毒理学研究并充分利用现代毒理学平台提供的机会。叙述性地强调了改进数据集成的挑战和可能性，包括在体外和 QSAR 领域之间建立共识的必要性。
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