通过脂质组合通过阴离子刺激的药物递送,其中包括宏环化分糖 - - 一项DFT研究
Muhammad Taufiq Firdausi Mazlee1, Thorsten Heidelberg1, Azhar Ariffin1
1Chemistry Department, Faculty of Science, University of Malaya, 50603, Kuala Lumpur, Malaysia.
Carbohydrate research
|August 20, 2023
概括
计算研究探讨了用于药物输送的甘油脂皇冠乙烯. 基于马尔托斯的类似物显示出 alkalication刺激释放的前景,通过增加分子组合交叉面积在阴离子复合时.
科学领域:
- 超分子化学 超分子化学
- 计算化学计算化学
- 药物输送系统 药物输送系统
背景情况:
- 开发酸刺激药物释放系统需要新的分子设计.
- 甘油脂皇冠以太被研究了它们在协调诱导的分子组合变化中的潜力.
研究的目的:
- 为了计算评估合成路径,以糖脂冠以太类似物.
- 评估这些类似物在分子组件包装约束中协调诱导的变化的潜力.
主要方法:
- 对葡萄糖脂类冠乙烯类似物进行计算研究.
- 在酸协调后对形状变化的分析.
- 合成可行性和包装约束的评估.
主要成果:
- 氨基酸结合是不利于围绕二糖体间的糖酸结合形成宏循环的.
- 基于乳糖的类似物在性复杂化时显示了交叉面积的减少.
- 基于马尔托斯的类似物表明,在阴离子协调时,甘油脂交叉面积增加.
结论:
- 基于马尔托斯的葡萄糖脂类皇冠类似物对酸刺激药物释放有希望.
- 在阳离子复合后观察到的交叉面积的增加是针对药物输送应用的关键.
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