Dynamical modeling of drug effect using hybrid systems.

Xiangfang Li, Lijun Qian, Edward R Dougherty
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Abstract

: Drug discovery today is a complex, expensive, and time-consuming process with high attrition rate. A more systematic approach is needed to combine innovative approaches in order to lead to more effective and efficient drug development. This article provides systematic mathematical analysis and dynamical modeling of drug effect under gene regulatory network contexts. A hybrid systems model, which merges together discrete and continuous dynamics into a single dynamical model, is proposed to study dynamics of the underlying regulatory network under drug perturbations. The major goal is to understand how the system changes when perturbed by drugs and give suggestions for better therapeutic interventions. A realistic periodic drug intake scenario is considered, drug pharmacokinetics and pharmacodynamics information being taken into account in the proposed hybrid systems model. Simulations are performed using MATLAB/SIMULINK to corroborate the analytical results.

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利用混合系统建立药物效应动态模型。
:当今的药物研发是一个复杂、昂贵、耗时且损耗率高的过程。我们需要一种更系统的方法,将创新方法结合起来,以实现更有效、更高效的药物开发。本文对基因调控网络背景下的药物效应进行了系统的数学分析和动态建模。本文提出了一个混合系统模型,将离散动力学和连续动力学融合为一个单一的动力学模型,用于研究药物扰动下底层调控网络的动力学。其主要目的是了解系统在受到药物扰动时是如何变化的,并为更好的治疗干预提供建议。本文考虑了一个现实的周期性药物摄入情景,并在所提出的混合系统模型中考虑了药物的药代动力学和药效学信息。使用 MATLAB/SIMULINK 进行了模拟,以证实分析结果。
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