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Stability of Proteins in Carbohydrates and Other Additives during Freezing: The Human Growth Hormone as a Case Study
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2017-09-07 00:00:00 , DOI: 10.1021/acs.jpcb.7b05541 Andrea Arsiccio 1 , Roberto Pisano 1
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2017-09-07 00:00:00 , DOI: 10.1021/acs.jpcb.7b05541 Andrea Arsiccio 1 , Roberto Pisano 1
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Molecular dynamics is here used to elucidate the mechanism of protein stabilization by carbohydrates and other additives during freezing. More specifically, we used molecular dynamics simulations to obtain a quantitative estimation of the capability of various cryoprotectants to preserve a model protein, the human growth hormone, against freezing stresses. Three mechanisms were investigated, preferential exclusion, water replacement, and vitrification. Model simulations were finally validated upon experimental data in terms of the ability of excipients to prevent protein aggregation. Overall, we found that the preferential exclusion and vitrification mechanisms are important during the whole freezing process, while water replacement becomes dominant only toward the end of the cryoconcentration phase. The disaccharides were found to be the most efficient excipients, in regard to both preferential exclusion and water replacement. Moreover, sugars were in general more efficient than other excipients, such as glycine or sorbitol.
中文翻译：
冷冻过程中碳水化合物和其他添加剂中蛋白质的稳定性：以人类生长激素为例
此处使用分子动力学来阐明在冷冻过程中碳水化合物和其他添加剂对蛋白质稳定的机制。更具体地说，我们使用分子动力学模拟来获得各种冷冻保护剂保存模型蛋白（人类生长激素）抵抗冰冻压力的能力的定量估计。研究了三种机制，优先排除，水置换和玻璃化。最后，根据赋形剂防止蛋白质聚集的能力，通过实验数据对模型模拟进行了验证。总的来说，我们发现优先排除和玻璃化机制在整个冷冻过程中很重要，而水替代仅在冷冻浓缩阶段结束时才占主导地位。就优先排除和水替代而言，发现二糖是最有效的赋形剂。此外，糖通常比其他赋形剂（例如甘氨酸或山梨糖醇）更有效。
更新日期：2017-09-07
中文翻译：
冷冻过程中碳水化合物和其他添加剂中蛋白质的稳定性：以人类生长激素为例
此处使用分子动力学来阐明在冷冻过程中碳水化合物和其他添加剂对蛋白质稳定的机制。更具体地说，我们使用分子动力学模拟来获得各种冷冻保护剂保存模型蛋白（人类生长激素）抵抗冰冻压力的能力的定量估计。研究了三种机制，优先排除，水置换和玻璃化。最后，根据赋形剂防止蛋白质聚集的能力，通过实验数据对模型模拟进行了验证。总的来说，我们发现优先排除和玻璃化机制在整个冷冻过程中很重要，而水替代仅在冷冻浓缩阶段结束时才占主导地位。就优先排除和水替代而言，发现二糖是最有效的赋形剂。此外，糖通常比其他赋形剂（例如甘氨酸或山梨糖醇）更有效。
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