Modeling of a propagation mechanism of infectious prion protein; a hexamer as the minimum infectious unit
Modeling of a propagation mechanism of infectious prion protein; a hexamer as the minimum infectious unit
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DOI：
10.1016/j.bbrc.2007.07.103
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发表时间：
2007-09-28
影响因子：
3.1
通讯作者：
Kuwata, Kazuo
中科院分区：
文献类型：
--
作者：
Nakamura, Hironorl K.;Takano, Mitsunori;Kuwata, Kazuo
为了构建一种新的传染性痒疹病毒蛋白(PrPsc)传播机制的模型，我们在假设PrPsc模型结构的基础上，采用基于结构的分子动力学模拟方法对PrPsc进行了干扰模拟。模拟结果表明，九聚体通过两种重要的中间状态以协同方式裂解成单体：(1)含有部分未折叠的表面三聚体的九聚体；(2)六聚体和三种单体。很少观察到二聚体和三聚体。然后，我们提出了一种新的PrPsc传播机制，其中六聚体作为最小感染单位起着至关重要的作用。(C)2007 Elsevier Inc.保留所有权利。
To construct a new model of the propagation mechanism of infectious scrapie-type prion protein (PrPsc), here we conducted a disruption simulation of a PrPsc nonamer using structure-based molecular dynamics simulation method based on a hypothetical PrPsc model structure. The simulation results showed that the nonamer disrupted in cooperative manners into monomers via two significant intermediate states: (1) a nonamer with a partially unfolded surface trimer and (2) a hexamer and three monomers. Dimers and trimers were rarely observed. Then, we propose a new PrPsc propagation mechanism where a hexamer plays an essential role as a minimum infectious unit. (c) 2007 Elsevier Inc. All rights reserved.