通过整合实验建模技术,深入了解同形库尔库-皮皮林的形成,同步释放和稳定性
Jiawei Han1, Yang Yang2, Yunjuan Hou2
1School of Pharmacy & School of Biological and Food Engineering, Changzhou University, Changzhou 213164, PR China; School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, PR China; Changzhou Pharmaceutical Factory Co., LTD, Changzhou 213018, PR China.
Journal of pharmaceutical sciences
|February 14, 2024
概括
共同形态的库尔库明-皮佩林 (CUR-PIP CM) 由于强烈的分子间相互作用,显示出增强的溶解和稳定性. 分子动力学模拟提供了对药物与前者相互作用的见解,有助于未来的配方设计.
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:
- 分子间相互作用对于共形系统的形成,释放和稳定至关重要.
- 仅通过实验方法研究这些相互作用带来了重大挑战.
研究的目的:
- 在形成,溶解和储存过程中探索同形素-素 (CUR-PIP CM) 中的分子间相互作用.
- 为了全面理解,整合实验和计算建模技术.
主要方法:
- 里埃变换红外光谱法 (FTIR) 是一种方法.
- 固态 13C 核磁共振 (ss 13C NMR) 是一种
- 分子动力学 (MD) 模拟
主要成果:
- CUR-PIP CM形成涉及素 (CUR) 和素 (PIP) 之间的强键.
- CUR-PIP CM表现出增加的溶解和同步释放,这是由于有利的水药相互作用而不是药物相互作用.
- 与单个无形形式相比,CUR和PIP之间的更高的结合能提高了CUR-PIP CM的物理稳定性.
结论:
- 这项研究阐明了分子间相互作用在CUR-PIP CM特性中的作用,使用了综合实验和MD模拟方法.
- 这种方法为设计未来的共形配方提供了有价值的见解.
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