在可生物降解的聚合物上对胰岛素进行计算配方研究.
Vinod Devaraji1, Sivaraman Jayanthi1
1Computational Drug Design Lab, Department of Biotechnology, School of Bio Sciences and Technology, Vellore Institute of Technology Vellore-632014 Tamil Nadu India jayanthi.s@vit.ac.in.
RSC advances
|July 10, 2023
概括
口服胰岛素的输送因胃肠道而面临挑战. 这项研究使用计算建模来寻找聚合物,如环氧德克斯和奇托,这些聚合物最能稳定胰岛素,用于潜在的新药物输送系统.
科学领域:
- 生物化学 生物化学
- 材料科学 材料科学 材料科学
- 计算生物学 计算生物学
背景情况:
- 口服胰岛素的使用受到胃肠道降解的限制,因此需要注射来治疗1型糖尿病.
- 开发聚合物来提高生物制剂的口服生物利用性至关重要,但传统上是缓慢的.
- 计算公式提供了一个更快的方法来识别合适的聚合物.
研究的目的:
- 通过计算选天然可生物降解的聚合物,以获得最佳的胰岛素稳定.
- 评估不同聚合物在不同条件下与胰岛素的兼容性.
- 为开发先进的口服药物输送系统提供见解.
主要方法:
- 利用分子建模技术,特别是分子动力学模拟.
- 在不同的pH值和温度下比较胰岛素聚合物混合物.
- 在体内和储存条件下分析了激素的形态特性.
主要成果:
- 循环德克斯和奇托桑在维持胰岛素稳定性方面表现出最高的疗效.
- 酸和点氨酸在稳定胰岛素方面效率相对较低.
- 计算模拟提供了胰岛素-聚合物相互作用的能量分析.
结论:
- 生物聚合物在稳定激素中起着重要的作用,用于生物和储存应用.
- 环极德和奇托是增强口服胰岛素稳定性的有希望的候选物.
- 这项研究可以加速开发新的生物药物输送系统.
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