Effect of two imidazolium derivatives of ionic liquids on the structure and activity of adenosine deaminase

被引：39
作者：
Ajloo, Davood [1 ,2 ]
Sangian, Masoomeh [1 ]
Ghadamgahi, Maryam [1 ]
Evini, Mina [3 ]
Saboury, Ali Akbar [3 ]
机构：
[1] Damghan Univ, Sch Chem, Damghan 367164467, Iran
[2] Damghan Univ, Inst Biol Sci, Damgahn, Iran
[3] Univ Tehran, Inst Biochem & Biophys, Tehran, Iran
来源：
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES | 2013年 / 55卷
关键词：
Adenosine deaminase; Docking; Hydrogen bond; Ionic liquid; Molecular dynamics simulation; Tertiary structure; STABILITY; CATALYSIS; SOLVENTS; BIOCATALYSIS;
D O I：
10.1016/j.ijbiomac.2012.12.042
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
The effect of two ionic liquids, 1-allyl 3-methyl-imidazolium (IL1) and 1-octhyl 3-methyl-imidozolium chlorides (IL2), on the structure and activity of adenosine deaminase (ADA) were described by UV-vis and fluorescence spectrophotometry in phosphate buffer and results were compared with docking and molecular dynamics (MD) simulation studies. All results showed that inhibition of activity and reduction of enzyme tertiary structure are more for octhyl than allyl derivative due to the more hydrophobic property of it. Finally structure parameters obtained from MD simulation showed that ionic liquid reduces intermolecular hydrogen bond and unfold enzyme structure. Calculation results are in good agreement with spectrophotometric studies. (c) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码：47 / 61
页数：15
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