Effect of Urea and Trimethyl N-oxide on the Structure of Parathyroid Hormone (1-34): A Molecular Dynamics Simulation Study

被引：0

作者：

Pal, Mayank ^{[1
]}

Bandyopadhyay, Dibyendu ^{[2
]}

Choudhury, Niharendu ^{[3
,4
]}

机构：

[1] Univ Mumbai, UM DAE Ctr Excellence Basic Sci, Dept Chem, Kalina Campus, Mumbai 400098, Maharashtra, India

[2] Bhabha Atom Res Ctr, Heavy Water Div, Mumbai 400085, Maharashtra, India

[3] Bhabha Atom Res Ctr, Theoret Chem Sect, Chem Grp, Mumbai 400085, Maharashtra, India

[4] Homi Bhabha Natl Inst, Mumbai 400094, Maharashtra, India

来源：

DAE SOLID STATE PHYSICS SYMPOSIUM 2019 | 2020年 / 2265卷

关键词：

WATER;

D O I：

10.1063/5.0017487

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The parathyroid hormone (PTH) is an important protein because of its crucial role in maintaining blood calcium level and in bone metabolism. Molecular dynamics simulations have been used here to investigate the structure of 34 residue protein PTH(1-34) in presence of a denaturant, urea and one smoprotectant, trimethylamine N-oxide (TMAO). The underlying mechanism of the denaturation process by urea as well protecting action by TMAO has been demonstrated. Although it isevident that urea denatures the protein by direct interaction mechanism, the protecting action by TMAO is a clear consequence of depletion of TMAO from the protein surfaceresulting from relative interaction of TMAO with protein and with water.

引用

页数：4

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