使用Simcyp R包进行PBPK模拟工作流程与Simcyp模拟器
Anthonia M Onasanwo1, Naresh Mittapelly1, Laura Shireman1
1Certara Predictive Technologies, Sheffield, UK.
CPT: pharmacometrics & systems pharmacology
|April 3, 2025
概括
本研究引入了一个R包,用Simcyp模拟器自动化生理学基础的药理动力学/药理动力学 (PBPK/PD) 建模. 这种整合简化了复杂的药物开发模拟,将分析时间从几天缩短到几个小时.
科学领域:
- 药理动力学和药理动力学
- 计算生物学 计算生物学
- 药物开发 药物开发
背景情况:
- 基于生理学的药理动力学/药理动力学 (PBPK/PD) 建模对于理解体内药物行为至关重要.
- 模拟器Simcyp是一个强大的商业工具,用于PBPK/PD模拟.
- 将R与PBPK/PD软件集成可以提高效率和分析能力.
研究的目的:
- 描述一个与Simcyp模拟器接口的R包 (23.0.64版本).
- 展示PBPK/PD模型开发和验证的自动化工作流程.
- 展示加速模拟执行,分析和可视化.
主要方法:
- 开发一个R包来控制Simcyp模拟器输入和过程输出.
- 实施用于模型验证和虚拟生物等价性评估的自动化工作流程.
- 利用R进行脚本编写,自动化,统计分析和结果可视化.
主要成果:
- 成功地将R与Simcyp模拟器集成,用于自动PBPK/PD建模.
- 证明了阿塔萨纳维尔药物相互作用模型的验证.
- 展示了对帕利皮里顿棕酸盐长效注射悬浮剂的虚拟生物等价性评估.
- 显著减少模拟和分析时间,从几天减少到几个小时.
结论:
- 该R包显著提高了使用Simcyp模拟器的PBPK/PD建模的效率.
- 自动化工作流程有助于更快,更强大的药物开发和临床研究.
- 这种方法加快了对药物相互作用和生物等价性的评估.
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