评估和调节基于双机制诱导的玻利在现场形成矩阵的性能的方法
Nutdanai Lertsuphotvanit1, Jitnapa Sirirak2, Poomipat Tamdee2
1Program of Pharmaceutical Technology, Faculty of Pharmacy, Silpakorn University, Nakhon Pathom 73000, Thailand.
Pharmaceutics
|August 26, 2023
概括
本研究探讨了用于持续药物释放的微分子在位形成系统 (ISM). 醇和三氨酸的结合优化了溶剂交换和矩阵形成,5%的三氨酸显示出最佳的药物释放控制.
科学领域:
- 材料科学 材料科学 材料科学
- 制药科学 制药科学
- 计算化学计算化学
背景情况:
- 传统的聚合物在位形成系统 (ISM) 正被基于小分子的替代品所取代.
- 醇和三酸是开发用于控制药物输送的新型ISM的关键组成部分.
研究的目的:
- 阐明基于玻利的ISM中的分子级溶剂交换机制.
- 为了将矩阵形成和药物释放现象与配方成分相关联.
- 了解三氨酸度在调节ISM特性和药物释放中的作用.
主要方法:
- 对ISM配方的物理性质 (密度,粘度) 的评估.
- 在体外药物释放研究.
- 使用AMBER工具进行分子动力学 (MD) 模拟,以分析溶剂交换和分子运动.
主要成果:
- 酸氨酸的比例影响了ISM密度和粘度,密度预测粘度.
- 高度的三氨酸导致自我组装速度较慢,粘度增加,药物释放持续.
- MD模拟显示,醇和酸氨酸限制了分子运动,并减缓了溶剂交换,5%的酸氨酸产生了最佳的持续释放.
结论:
- 基于小分子的ISM,特别是具有优化的玻利和三酸盐含量,可以有效控制药物释放.
- 分子动力学模拟提供了对初始溶剂交换机制的关键见解.
- 集成的经典和计算方法增强了对ISM行为从分子到宏观尺度的理解,以便在未来开发.
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