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学科主题: 药学
题名:
Structural basis for the specific interaction of chicken haemoglobin with bromophenol blue: a computational analysis
作者: Yu, Hui2; Wang, Zhanli3; Qin, Wenbin1; Zhang, Liangren4
关键词: haemoglobin ; bromophenol blue ; electrophoresis ; molecular modelling
刊名: MOLECULAR PHYSICS
发表日期: 2010
DOI: 10.1080/00268971003623393
卷: 108, 期:2, 页:215-220
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
关键词[WOS]: MODELS ; GENE
英文摘要:

It has been observed that bromophenol blue interacted specifically with chicken haemoglobin but not with carp haemoglobin during electrophoresis, but the mechanism of interaction is still not well understood. In this computational study, the binding of bromophenol blue to chicken haemoglobin has been investigated using sequence alignment, homology modelling, electrostatic potential distribution and flexible docking methods. Molecular modelling studies reveal that bromophenol blue-binding site, formed by residues Val1 alpha, Leu2 alpha, Ala131 alpha, Thr134 alpha, Ala138 alpha and Arg141 alpha, is located between two alpha chains of chicken haemoglobin, and the binding is dominated by hydrophobic interactions. Moreover, comparison of chicken and carp haemoglobin structural models provides a structural rationale for the recognition of bromophenol blue by chicken haemoglobin. These principles can in turn be used to study the molecular recognition mechanism and design a mimic of bromophenol blue for the development of new haemoglobin binders.

语种: 英语
所属项目编号: 2008kj0670 ; 2008Y020
项目资助者: Science Foundation for The Excellent Youth Scholars of Tongji University, China ; Science Foundation for Youths of Shanghai Health Bureau, China
WOS记录号: WOS:000274559800012
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.bjmu.edu.cn/handle/400002259/51295
Appears in Collections:北京大学药学院_期刊论文

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作者单位: 1.Baotou Med Coll, Lab Hemoglobin, Baotou 014010, Peoples R China
2.Tongji Univ, Affiliated Peoples Hosp 10, Dept Lab Med, Shanghai 200072, Peoples R China
3.Zhejiang Univ Technol, Coll Pharmaceut Sci, Hangzhou 310014, Zhejiang, Peoples R China
4.Peking Univ, Sch Pharmaceut Sci, Beijing 100083, Peoples R China

Recommended Citation:
Yu, Hui,Wang, Zhanli,Qin, Wenbin,et al. Structural basis for the specific interaction of chicken haemoglobin with bromophenol blue: a computational analysis[J]. MOLECULAR PHYSICS,2010,108(2):215-220.
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