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药物释放的蒙特卡罗模拟。

Monte Carlo simulations in drug release.

机构信息

Division of Theoretical Physics, Physics Department, Aristotele University of Thessaloniki, 54124, Thessaloniki, Greece.

Division of Applied Mathematics, Department of Chemical Engineering, University of Patras, Patras, Greece.

出版信息

J Pharmacokinet Pharmacodyn. 2019 Apr;46(2):165-172. doi: 10.1007/s10928-019-09625-8. Epub 2019 Mar 18.

Abstract

We present methods based on simple sampling Monte Carlo simulations that are used in the study of controlled drug release from devices of various shapes and characteristics. The manuscript is part of a special tribute issue for Prof. Panos Macheras and we have chosen applications of the Monte Carlo method in the field of drug release that were pioneered by him and his research group. Thus, we focus on the investigation of diffusion based release and we present methods that go beyond the application of the classical fickian diffusion equation. We describe methods that have proven to be effective in illuminating the profound effects of the substrate heterogeneity on the drug release profiles and demonstrate some of the most powerful applications of agent based simulations and numerical methods in the field of pharmacokinetics.

摘要

我们提出了基于简单采样蒙特卡罗模拟的方法,用于研究各种形状和特性的装置中药物的控制释放。本文是为 Panos Macheras 教授特别纪念刊的一部分,我们选择了他和他的研究小组开创的蒙特卡罗方法在药物释放领域的应用。因此,我们专注于基于扩散的释放研究,并提出了超越经典菲克扩散方程应用的方法。我们描述了已被证明有效的方法,这些方法阐明了基质异质性对药物释放曲线的深远影响,并展示了基于代理的模拟和数值方法在药代动力学领域的一些最强大的应用。

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