机械经皮给药模型的新趋势:皮肤微观结构的精确描述
New trends in mechanistic transdermal drug delivery modelling: Towards an accurate description of skin microstructure
摘要:
在过去几年中,对皮肤吸收外源性物质的计算机模拟的兴趣一直在增长,这是因为与实验替代品相比,它们的成本较低,并且希望避免动物实验。本文综述了基于生理的药代动力学(PBPK)模型的概述,并重点介绍了最近的建模方法,如有限元和格子玻尔兹曼。这些方法允许皮肤微观结构的详细几何表示,与经典的QSPR和房室模型。皮肤的形态学特征,例如角质层、毛囊和毛囊皮脂腺单位的实体描述,因此可以更准确地表示,允许更好地描述化妆品与皮肤的相互作用。本次审查还强调了几个角度,以进一步发展这些模型的方向相关的行业。
英文摘要:
Interest for in silico modelling of the absorption of xenobiotics into the skin has been growing in the last years, owing to their lower cost compared to experimental alternatives, and the desire to avoid animal experimentation. This review presents an overview of Physiologically-Based Pharmacokinetic (PBPK) models and focuses on recent, modelling approaches, such as Finite Element and Lattice Boltzmann. These methods allow for a detailed geometric representation of the skin microstructure, in contrast to classic QSPR and compartmental models. Morphological features of the skin such as the bricks and mortar description of the stratum corneum, hair follicles, and the pilosebaceous unit can therefore be represented more accurately, allowing a better description of the interaction of cosmetics with the skin. This review also highlights several perspectives to further develop these models in directions relevant to industry.
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