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Theoretical Studies on the Conformation of Monosialogangliosides and Disialogangliosides

Veluraja, K and Rao, VS R (1983) Theoretical Studies on the Conformation of Monosialogangliosides and Disialogangliosides. In: Carbohydrate Polymers, 3 (3). pp. 175-192.

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The preferred conformation of gangliosides GM3, GM2, GM1, GD1a and GD1b have been studied by computing their potential energies. The conformation of NeuNAc in GM3 differs from that expected for the same residue in GM2 and GM1. The NeuNAc residues in GM2 and GM1 exhibit identical conformations. Theory predicts that the terminal NeuNAc of GD1a is conformationally similar to that of GM3 and that the internal one is similar in conformation to those present in GM2 and GM1 in agreement with NMR studies. The differences in chemical shifts of the C2 and C3 carbons of the internal and terminal NeuNAc of GD1a have been attributed to differences in orientation. The present studies suggest that the binding site of cholera toxin is much smaller than that of tetanus toxin. The preferred shape of these gangliosides correlate well with their biological properties.

Item Type: Journal Article
Publication: Carbohydrate Polymers
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 11 Apr 2008
Last Modified: 19 Sep 2010 04:44
URI: http://eprints.iisc.ac.in/id/eprint/13653

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