Synthesis of and molecular dynamics simulations on a tetrasaccharide corresponding to the repeating unit of the capsular polysaccharide from Salmonella enteritidis

被引：8
|
作者：
Olsson, Johan D. M. [1 ]
Landstrom, Jens [1 ]
Ronnols, Jerk [1 ]
Oscarson, Stefan [1 ,2 ]
Widmalm, Goeran [1 ]
机构：
[1] Univ Stockholm, Arrhenius Lab, Dept Organ Chem, S-10691 Stockholm, Sweden
[2] Univ Coll Dublin, Ctr Synth & Chem Biol, Dublin 4, Ireland
来源：
ORGANIC & BIOMOLECULAR CHEMISTRY | 2009年 / 7卷 / 08期
基金：
瑞典研究理事会;
关键词：
O-ANTIGENIC POLYSACCHARIDE; CONFORMATIONAL-ANALYSIS; NMR-SPECTROSCOPY; OLIGOSACCHARIDES; GLYCOSYLATION; PROGRAM; CHAINS; TYPHI;
D O I：
10.1039/b823428k
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Syntheses of two oligosaccharides as methyl glycosides related to the repeating unit of S. enteritidis capsular polysaccharide (CPS) are presented. The trisaccharide corresponds to the backbone of the CPS whereas the tetrasaccharide is a model for the repeating unit which has a branched structure. Molecular dynamics simulations investigating their flexibility and dynamics revealed that the oligosaccharides populate several conformational states and indicate that conformational averaging should be used in describing the accessible conformational space.
引用
收藏
页码：1612 / 1618
页数：7
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