Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins

被引：10
|
作者：
Pieraccini, Stefano
Burgi, Luigi
Genoni, Alessandro
Benedusi, Anna
Sironi, Maurizio
机构：
[1] Univ Milan, Dipartimento Chim Fis & Elettrochim, I-20133 Milan, Italy
[2] Giuliani Spa, I-20100 Milan, Italy
[3] CISI, Ctr Biomol Interdisciplinary Studies & Ind Applic, I-20138 Milan, Italy
来源：
CHEMICAL PHYSICS LETTERS | 2007年 / 438卷 / 4-6期
关键词：
D O I：
10.1016/j.cplett.2007.03.007
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The protecting effect of the osmolyte molecule taurine against thermal denaturation of the protein Chimotripsin Inhibitor 2 was modelled using Molecular Dynamics simulations. The protein was simulated in denaturing conditions at different taurine concentrations. Analysis of the molecular details of its behaviour shows that the protective effect of the osmolyte is concentration dependent. Moreover, the influence of taurine on the solvent structure was studied. A concentration dependent ordering effect of taurine on water molecules emerges from solvent structure analysis and is well correlated to the protecting effect observed. Based on these observations an interpretation of the osmoprotective effect is proposed. (c) 2007 Elsevier B.V. All rights reserved.
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页码：298 / 303
页数：6
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