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表面活性剂-聚合物复合和药物纳米晶表面竞争控制结晶性

Lucas Attia¹, Dien Nguyen¹, Devashish Gokhale¹

¹Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.

ACS applied materials & interfaces

|June 18, 2024

概括

了解多种辅助剂如何影响药物纳米晶体结构是口服生物可用性的关键. 这项研究揭示了表面活性剂和聚合物如何影响 fenofibrate 晶体结构和结晶性,改善口服药物输送.

科学领域:

制药科学制药科学
材料科学材料科学材料科学
化学工程是化学工程的重要组成部分.

背景情况:

纳米化药物晶体通过增加表面积来提高口服生物可用性,以获得更好的溶解和可溶性.
"自下而上"的方法利用聚合物和表面活性剂的辅助物来控制晶体化过程中的纳米晶体大小,形态和结构.
关于多种辅助剂对药物的晶体结构和结晶性的机制性相互作用的研究有限.

研究的目的:

研究非离子表面活性剂 (聚酸盐80,酸盐单) 和聚合物 (甲基纤维素) 之间的竞争性界面相互作用对纤维化纳米晶体的结构和结晶性的影响.
通过古典分子动力学模拟,阐明控制这些相互作用的分子机制.
将模拟结果与在薄膜水凝中药物结晶性的实验观测相关联.

主要方法:

经典分子动力学模拟用于模拟纤维酸,表面活性剂和聚合物之间的分子间相互作用.
在水凝薄膜中实验合成纤维化纳米晶体.
分析由于表面活性剂-聚合物复合和表面选而导致的晶体结构变化.
药物结晶性的量化作为表面活性剂重量分量的函数.

主要成果:

分子动力学模拟显示,表面活性剂-聚合物复合和晶体表面的表面活性剂选改变了纤维化物晶体结构.
实验数据显示,在表面活性剂度较高时,药物的结晶性增加.
模拟结果表明,散体晶体的加速动态与实验测量的晶体性之间存在相关性.

结论:

这项研究提供了第一个基于模拟的药物晶体结构变化的特征,这些变化是由辅助剂表面成分驱动的.
建立了分子相互作用,晶体结构和纳米晶体中的结晶性程度之间的机械联系.
这些发现提供了对纳米结晶的更深入的理解,可能扩大口服可交付的小分子疗法的开发.

关键词:

结晶性结晶性是指结晶性.接口接口接口接口分子动力学分子动力学纳米配方中的纳米配方聚合物是一种聚合物.表面活性剂是什么表面活性剂是什么

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