在预测驱动3D打印药物输送系统的发展
Pooja Todke1,2, Robertas Lazauskas3, Jurga Bernatoniene1,2
1Institute of Pharmaceutical Technologies, Faculty of Pharmacy, Medical Academy, Lithuanian University of Health Sciences, 44307 Kaunas, Lithuania.
Pharmaceutics
|January 28, 2026
概括
In silico方法准确地预测了3D打印制药的辅助剂混合性和药物溶解,减少了试错实验. 这加速了个性化的3D打印 (3DP) 药物输送系统的发展.
科学领域:
- 制药科学 制药科学
- 材料科学 材料科学 材料科学
- 计算化学计算化学
背景情况:
- 三维打印 (3DP) 提供了个性化药品制造.
- 对于3DP,传统的辅助剂选择依赖于低效的试错方法.
研究的目的:
- 开发和验证用于预测3DP配方中辅助剂混合性和溶解行为的in silico方法.
- 建立一个高通量辅助剂查框架,加快3DP药物输送系统的开发.
主要方法:
- 使用混合模块模拟来计算混合性参数 (混合能量和Flory-Huggins参数).
- 采用分子动力学 (MD) 模拟来确定凝聚力能量密度 (CED),用于溶解预测.
- 与51种配方的实验数据相关联的in silico预测.
主要成果:
- 在 silico 中预测的可混合性参数与实验性可打印性有很强的相关性.
- 根据药物辅助剂比率,增塑剂/脂质度和热挤出 (HME) 温度,准确预测可打印性.
- 较低的CED值表明水友载体的药物释放速度更快;较高的CED值表明水害载体的持续释放.
结论:
- 混合性参数和MD模拟的CED值为早期,高通量辅助剂查提供了实际框架.
- 在 silico 预测提供了一个可行的策略来建模 3DP 工作流程,最大限度地减少实验和加速临床翻译.
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