Molecular dynamics study of laccase immobilized on self-assembled monolayer-modified Au

被引：8
|
作者：
Miyazawa, Naoki [1 ]
Tanaka, Masahiro [1 ,2 ]
Hakamada, Masataka [1 ]
Mabuchi, Mamoru [1 ]
机构：
[1] Kyoto Univ, Grad Sch Energy Sci, Sakyo Ku, Yoshidahonmachi, Kyoto 6068501, Japan
[2] Sekisui Chem Corp, Minato Ku, Tokyo 1058405, Japan
来源：
JOURNAL OF MATERIALS SCIENCE | 2017年 / 52卷 / 21期
关键词：
STABILITY; GOLD;
D O I：
10.1007/s10853-017-1392-z
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Molecular dynamics simulations of laccase immobilized by 4-aminothiophenol (4-ATP) were performed to understand the origin of the enhanced catalytic activity at 350 K of laccase immobilized by self-assembled monolayers. The simulation showed that laccase was stabilized by bonding with 4-ATP. In addition, docking simulation of 2,6-dimethoxyphenol (DMP) to laccase revealed that the hydrophobic interaction energy was increased by bonding with 4-ATP. The variations of docking site size were minor considering the dimensions of DMP molecule. Therefore, it is suggested that the enhanced catalytic activity of laccase with 4-ATP is attributed to the high hydrophobic interaction energy between laccase and DMP.
引用
收藏
页码：12848 / 12853
页数：6
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