电场
球状蛋白
胰岛素
蛋白质二级结构
场强
氢键
分子动力学
领域(数学)
化学
材料科学
化学物理
生物物理学
核磁共振
结晶学
物理
分子
计算化学
内科学
生物
医学
磁场
量子力学
数学
纯数学
有机化学
作者
Xianwei Wang,Yongxiu Li,Xiao He,Shude Chen,John Z. H. Zhang
摘要
A series of molecular dynamics (MD) simulations up to 1 μs for bovine insulin monomer in different external electric fields were carried out to study the effect of external electric field on conformational integrity of insulin. Our results show that the secondary structure of insulin is kept intact under the external electric field strength below 0.15 V/nm, but disruption of secondary structure is observed at 0.25 V/nm or higher electric field strength. Although the starting time of secondary structure disruption of insulin is not clearly correlated with the strength of the external electric field ranging between 0.15 and 0.60 V/nm, long time MD simulations demonstrate that the cumulative effect of exposure time under the electric field is a major cause for the damage of insulin's secondary structure. In addition, the strength of the external electric field has a significant impact on the lifetime of hydrogen bonds when it is higher than 0.60 V/nm. The fast evolution of some hydrogen bonds of bovine insulin in the presence of the 1.0 V/nm electric field shows that different microwaves could either speed up protein folding or destroy the secondary structure of globular proteins deponding on the intensity of the external electric field.
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