Molecular dynamics simulation study on zwitterionic structure to maintain the normal conformations of Glutathione

被引：0

作者：

YAN Han ZHU HaoMiao SHEN Jian Jiangsu Research Center of Surface and Interface Chemical Engineering and Technology Nanjing University Nanjing China Jiangsu Engineering Research Center for Biomedical function Materials Nanjing Normal University Nanjing China ^{[1
,2
,1
,2
,1
,210093
,2
,210097
]}

机构：

来源：

Science in China(Series B:Chemistry) | 2007年 / 05期

关键词：

protein-surface interactions; molecular dynamics simulation; zwitterionic structure; Glutathione; conformational changes; antithrombotic ma- terial;

D O I：

暂无

中图分类号：

O621 [有机化学一般性问题];

学科分类号：

070303 ; 081704 ;

摘要：

Molecular dynamics simulations were applied to normal conformational Glutathione (GSH) and GSH over zwitterionic and hydrophobic surfaces respectively. Conformational analysis of GSH during the simulation time on RMSD, conformational flexibility and dihedral distribution were performed. The re- sults showed that zwitterionic structure maintains the normal conformations of GSH to a better extent, which should be a first good proof of the hypothesis of "maintain of normal structure".

引用

页码：660 / 664

页数：5

共 4 条

[1]

Synthetic studies on nonthrombogenic biomaterials 14: synthesis and characterization of poly(ether-urethane) bearing a Zwitterionic structure of phosphorylcholine on the surface[J] . Z. M. Yang,L. Wang,J. Yuan,J. Shen,S. C. Lin.Journal of Biomaterials Science, Polymer Edition . 2003 (7)

[2] Platelet adhesive resistance of segmented polyurethane film surface-grafted with vinyl benzyl sulfo monomer of ammonium zwitterions [J].

Zhang, J ;

Yuan, J ;

Yuan, YL ;

Zang, XP ;

Shen, J ;

Lin, SC .

BIOMATERIALS, 2003, 24 (23) :4223-4231

[3] Calculation of protein-polymer force fields using molecular dynamics [J].

Pitt, WG ;

Weaver, DR .

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1997, 185 (01) :258-264

[4]

Peptide-TiO2 surface interaction in solution by ab initio and molecular dynamics simulations .2 Carravetta,V.,Monti,S. J. Phys Chem B . 2006

← 1 →