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dc.contributor.authorWilson, Jennifer C.
dc.contributor.authorThomson, Robin J.
dc.contributor.authorDyason, Jeffrey C.
dc.contributor.authorFlorio, Pas
dc.contributor.authorQuelch, Kaylene J.
dc.contributor.authorAbo, Samia
dc.contributor.authorvon Itzstein, Mark
dc.date.accessioned2017-05-03T12:19:09Z
dc.date.available2017-05-03T12:19:09Z
dc.date.issued2000
dc.date.modified2014-07-21T05:06:46Z
dc.identifier.issn09574166
dc.identifier.doi10.1016/S0957-4166(99)00552-2
dc.identifier.urihttp://hdl.handle.net/10072/22207
dc.description.abstractA 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.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherPergamon
dc.publisher.placeUnited Kingdom
dc.relation.ispartofpagefrom53
dc.relation.ispartofpageto73
dc.relation.ispartofissue1
dc.relation.ispartofjournalTetrahedron Asymmetry
dc.relation.ispartofvolume11
dc.subject.fieldofresearchHistory and Archaeology
dc.subject.fieldofresearchOrganic Chemistry
dc.subject.fieldofresearchcode21
dc.subject.fieldofresearchcode0305
dc.titleThe design, synthesis and biological evaluation of neuraminic acid-based probes of Vibrio cholerae sialidase
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.date.issued2000
gro.hasfulltextNo Full Text
gro.griffith.authorvon Itzstein, Mark


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