The design, synthesis and biological evaluation of neuraminic acid-based probes of Vibrio cholerae sialidase

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Title The design, synthesis and biological evaluation of neuraminic acid-based probes of Vibrio cholerae sialidase
Author Wilson, Jennifer C.; Thomson, Robin J.; Dyason, Jeffrey Clifford; Florio, Pas; Quelch, Kaylene J.; Abo, Samia; von Itzstein, Mark
Journal Name Tetrahedron Asymmetry
Year Published 2000
Place of publication United Kingdom
Publisher Pergamon
Abstract A molecular modelling study using the program GRID has been used to investigate the structural requirements of a potential inhibitor binding to Vibrio cholerae sialidase. A number of favourable interactions were predicted between the sialidase and Neu2en derivatives containing hydroxyl- or halogen-substituted acyl groups on the C-5 amine. As a result of this study, a detailed analysis of the interactions of C-5-substituted Neu2en derivatives with the active site of V. cholerae sialidase was undertaken using a conformational searching routine based on molecular dynamics. Based on the results of these molecular design studies several N-acyl-Neu2en-based probes were prepared and evaluated for sialidase inhibition. As envisaged, and pleasingly, the designed compounds were found to be accommodated by the enzyme’s active site architecture, and to be strong inhibitors of V. cholerae sialidase.
Peer Reviewed Yes
Published Yes
Alternative URI http://dx.doi.org/10.1016/S0957-4166(99)00552-2
Volume 11
Issue Number 1
Page from 53
Page to 73
ISSN 0957-4166
Date Accessioned 2006-07-05
Date Available 2014-07-21T05:06:46Z
Language en_US
Research Centre Institute for Glycomics
Faculty Institute for Glycomics
Subject PRE2009-Science & Technology
URI http://hdl.handle.net/10072/22207
Publication Type Article in Scholarly Refereed Journal
Publication Type Code c1x

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