Molecular Modeling of Oligosugar Structures

  • Masaji Ishiguro


Structural data of oligosugars are essential for understanding their functions in molecular recognition in sugar-protein interactions. Further design of sugar mimics and non-sugar derivatives based on three-dimensional structures of oligosugars is one of the most important subjects in drug design.


Aromatic Amino Acid Molecular Recognition Glycosidic Bond Conformational Analysis Molecular Dynamic Calculation 


  1. Cioci G, Revet A, Koca J et al (2004) Conformational analysis of complex oligosaccharides: the CICADA approach to the uromodulin O-glycans. Carbohydr Res 339:949–959PubMedCrossRefGoogle Scholar
  2. Imberty A, Perez S (2000) Structure, conformation, and dynamics of bioactive oligosaccharides: the theoretical approaches and experimental validations. Chem Rev 100:4567–4588PubMedCrossRefGoogle Scholar
  3. Kakuda S, Shiba T, Ishiguro M et al (2004) Structural basis for acceptor substrate recognition of a human glucuronyltransferase, GlcAT-P, an enzyme critical in the biosynthesis of the carbohydrate epitope HNK-1. J Biol Chem 279:22693–22703PubMedCrossRefGoogle Scholar
  4. Shiba T, Kakuda S, Ishiguro M et al (2006) Crystal structure of GlcAT-S, a human glucuronyltransferase, involved in the biosynthesis of the HNK-1 carbohydrate epitope. Proteins 65:499–508PubMedCrossRefGoogle Scholar

Copyright information

© Springer 2008

Authors and Affiliations

  • Masaji Ishiguro
    • 1
  1. 1.Division of Computational and Biofunctional ResearchSuntory Institute for Bioorganic ResearchShimamoto, OsakaJapan

Personalised recommendations