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Structural basis for the specific interaction of chicken haemoglobin with bromophenol blue: a computational analysis
Yu, Hui2; Wang, Zhanli3; Qin, Wenbin1; Zhang, Liangren4
关键词Haemoglobin Bromophenol Blue Electrophoresis Molecular Modelling
刊名MOLECULAR PHYSICS
2010
DOI10.1080/00268971003623393
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
WOS记录号WOS:000274559800012
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被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/51295
专题北京大学药学院
北京大学药学院_药物化学系
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
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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.
APA Yu, Hui,Wang, Zhanli,Qin, Wenbin,&Zhang, Liangren.(2010).Structural basis for the specific interaction of chicken haemoglobin with bromophenol blue: a computational analysis.MOLECULAR PHYSICS,108(2),215-220.
MLA Yu, Hui,et al."Structural basis for the specific interaction of chicken haemoglobin with bromophenol blue: a computational analysis".MOLECULAR PHYSICS 108.2(2010):215-220.
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