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Molecular modelling of saccharide-lipid interactions

Rudolph, BR and Chandrasekhar, I and Gaber, BP and Nagumo, M (1990) Molecular modelling of saccharide-lipid interactions. In: Chemistry and Physics of Lipids, 53 (2-3). pp. 243-261.

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Official URL: http://dx.doi.org/10.1016/0009-3084(90)90050-2

Abstract

Certain saccharides, including trehalose, sucrose and glucose, stabilize lipid bilayers against dehydration. It has been suggested that these saccharides replace waters of hydration as the system is dried, thereby maintaining the headgroups at their hydrated spacing. The lipid acyl chains consequently have sufficient free volume to remain in the liquid crystallines state, and the processes that disrupt membrane integrity are inhibited. Initial molecular graphic investigations of a model trehalose/DMPC system supported this idea (Chandrasekhar, I. and Gaber, B.P. (1988) J. Biomol. Stereodyn, 5, 1163–1171). We have extended these studies to glucose and sucrose. A set of AMBER potential parameters has been established that reproduce simple saccharide conformations, including the anomeric effect. Extensive energy minimizations have been conducted on all three systems. The saccharide-lipid interaction energies become less stable in the order trehalose <sucrose<glucose. However, the total energies of the saccharide/lipid complexes becom eless negative in the order trehalose<glucose<sucrose.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier Science.
Keywords: molecular modelling;saccharide-lipid interactions
Department/Centre: Others
Date Deposited: 27 Apr 2011 05:06
Last Modified: 27 Apr 2011 05:06
URI: http://eprints.iisc.ernet.in/id/eprint/35031

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