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用帕克利塔塞尔装载的PLGA纳米颗粒的设计,辅助兼容性建模

Alžběta Zemánková¹, Anton Iemtsev¹, Martin Dinh¹

¹Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, 166 28 Prague 6, Czech Republic.

International journal of pharmaceutics

|July 23, 2025

概括

使用COSMO-RS模拟药物辅助剂相互作用可以优化纳米粒子药物递送系统. 这种方法预测了帕克利塔塞尔在聚合物中的溶解性,指导了有效的抗癌纳米粒子配方的开发.

科学领域:

材料科学材料科学材料科学
制药科学制药科学
计算化学的计算化学

背景情况:

像帕克利塔克塞尔 (PTX) 这样的抗癌药物的水溶性差限制了生物可用性.
使用可生物降解聚合物的基于纳米粒子的药物递送系统 (DDS) 提供了解决方案,但在API-聚合物选择方面面临挑战.
高成本和众多组合需要预测建模,以实现高效的DDS开发.

研究的目的:

探索API-聚合物相位行为建模,用于为PTX设计基于纳米粒子 (NP) 的DDS.
使用COSMO-RS. 预测PTX与聚甲基-协同甘油化物 (PLGA) 和PLGA-PEG的兼容性.
为了将建模预测与实验NP特征和性能相关联.

主要方法:

使用真实溶剂的导体样选模型 (COSMO-RS) 来预测PTX-聚合物相位行为.
通过乳液溶剂蒸发而制备的PTX载荷PLGA和PEGylatedPLGANP.
将预测的溶解度趋势与实验药物负载,固态特性和细胞毒性进行比较.

主要成果:

在PLGA中,COSMO-RS预测了有限的PTX溶解度,与实验最大无形PTX负荷≤2重%一致.
建模表明PTX与PEG的兼容性更高,预测PEG化NP中的增强负载.
实验结果证实,PEGylated NPs的药物负载增加和PTX释放放缓慢.

结论:

API-聚合物相位行为建模,特别是COSMO-RS,是优化基于NP的DDS的一个有价值的工具.
预测模型有助于定制聚合物载体,并改善药物输送中的API利用.
这种方法可以加速开发有效的纳米粒子药物递送系统.

关键词:

在COSMO-RS的基础上,细胞测试细胞测试兼容性兼容性兼容性药物输送系统是药物输送系统.纳米颗粒纳米颗粒 PLGA共聚合物是一种共聚合物.帕克利塔克塞尔 (Paclitaxel) 是一种药物.

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