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Animal simulations facilitate smart drug design through prediction of nanomaterial transport to individual tissue cells.
Science Advances ( IF 13.6 ) Pub Date : 2020-01-22 , DOI: 10.1126/sciadv.aax2642
Edward Price 1, 2 , Andre J Gesquiere 1, 2, 3, 4
Affiliation  

Smart drug design for antibody and nanomaterial-based therapies allows optimization of drug efficacy and more efficient early-stage preclinical trials. The ideal drug must display maximum efficacy at target tissue sites, with transport from tissue vasculature to the cellular environment being critical. Biological simulations, when coupled with in vitro approaches, can predict this exposure in a rapid and efficient manner. As a result, it becomes possible to predict drug biodistribution within single cells of live animal tissue without the need for animal studies. Here, we successfully utilized an in vitro assay and a computational fluid dynamic model to translate in vitro cell kinetics (accounting for cell-induced degradation) to whole-body simulations for multiple species as well as nanomaterial types to predict drug distribution into individual tissue cells. We expect this work to assist in refining, reducing, and replacing animal testing, while providing scientists with a new perspective during the drug development process.

中文翻译:

动物模拟通过预测纳米材料向单个组织细胞的运输,促进了智能药物设计。

针对抗体和基于纳米材料的疗法的智能药物设计可优化药物功效并进行更有效的早期临床前试验。理想的药物必须在目标组织部位发挥最大功效,而从组织血管到细胞环境的转运至关重要。当与体外方法结合使用时,生物学模拟可以快速有效地预测这种暴露。结果,无需动物研究就可以预测活动物组织的单个细胞内的药物生物分布。这里,我们成功地利用了体外测定和计算流体动力学模型来将体外细胞动力学(考虑细胞诱导的降解)转化为多种物种以及纳米材料类型的全身模拟,以预测药物在单个组织细胞中的分布。我们希望这项工作有助于改进,减少和替代动物试验,同时在药物开发过程中为科学家提供新的视角。
更新日期:2020-01-23
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