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Oligosaccharides Related to Tumor‐Associate Antigens. Part 4 . Modeling of the terminal tetrasaccharide of an antigen recognized by the MBr1 antibody and of overlapping Di‐ and trisaccharide sequences
Author(s) -
Toma Lucio,
Colombo Diego,
Ronchetti Fiamma,
Panza Luigi,
Russo Giovanni
Publication year - 1995
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19950780311
Subject(s) - trisaccharide , chemistry , tetrasaccharide , stereochemistry , glycosidic bond , antigen , molecular mechanics , molecular dynamics , biochemistry , polysaccharide , computational chemistry , immunology , biology , enzyme
The conformational space of the tetrasaccharide α‐ L ‐Fuc‐(1→2)‐β‐ D ‐Gal‐(1→3)‐β‐ D ‐GalNAc‐(1→3)‐α‐ D ‐GallPr ( 3 ) and of some overlapping di‐ and trisaccharide sequences was investigated with the aid of molecular‐mechanics energy minimizations, molecular‐dynamics simulations, and 1 H‐NMR analysis. These investigations suggested that in compound 3 a certain rigidity of the first two glycosidic linkages (Fuc‐Gal and Gal‐GalNAc) is combined with the flexibility of the third one (GalNAc‐Gal).