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dc.creatorGuzzi, Cinziaes
dc.creatorAlfarano, Pietroes
dc.creatorSutkeviciute, Ievaes
dc.creatorSattin, Saraes
dc.creatorRibeiro Viana, Renatoes
dc.creatorFieschi, Franckes
dc.creatorBernardi, Annaes
dc.creatorWeiser, Joerges
dc.creatorRojo, Javieres
dc.creatorAngulo, Jesúses
dc.creatorNieto, Pedro M.es
dc.date.accessioned2018-07-20T09:29:10Z
dc.date.available2018-07-20T09:29:10Z
dc.date.issued2015
dc.identifier.citationGuzzi, C., Alfarano, P., Sutkeviciute, I., Sattin, S., Ribeiro Viana, R., Fieschi, F.,...,Nieto, P.M. (2015). Detection and Quantitative Analysis of Two Independent Binding Modes of a Small Ligand Responsible for DC-SIGN Clustering. Organic and Biomolecular Chemistry, 1 (14), 335-344.
dc.identifier.issn1477-0520 (impreso)es
dc.identifier.issn1477-0539 (electrónico)es
dc.identifier.urihttps://hdl.handle.net/11441/77483
dc.description.abstractDC-SIGN (dendritic cell-specific ICAM-3 grabbing non-integrin) is a C-type lectin receptor (CLR) present, mainly in dendritic cells (DCs), as one of the major pattern recognition receptors (PRRs). This receptor has a relevant role in viral infection processes. Recent approaches aiming to block DC-SIGN have been presented as attractive anti-HIV strategies. DC-SIGN binds mannose or fucose-containing carbohydrates from viral proteins such as the HIV envelope glycoprotein gp120. We have previously demonstrated that multivalent dendrons bearing multiple copies of glycomimetic ligands were able to inhibit DC-SIGN-dependent HIV infection in cervical explant models. Optimization of glycomimetic ligands requires detailed characterization and analysis of their binding modes because they notably influence binding affinities. In a previous study we characterized the binding mode of DC-SIGN with ligand 1, which shows a single binding mode as demonstrated by NMR and X-ray crystallography. In this work we report the binding studies of DC-SIGN with pseudotrisaccharide 2, which has a larger affinity. Their binding was analysed by TR-NOESY and STD NMR experiments, combined with the CORCEMA-ST protocol and molecular modelling. These studies demonstrate that in solution the complex cannot be explained by a single binding mode. We describe the ensemble of ligand bound modes that best fit the experimental data and explain the higher inhibition values found for ligand 2.es
dc.description.sponsorshipMInisterio de Ciencia e Innovación CTQ2009‐07168, CTQ2011-23410, CTQ2012-­32605, RYC-2007-­01791 to J.Aes
dc.formatapplication/pdfes
dc.language.isoenges
dc.publisherRoyal Society of Chemistryes
dc.relation.ispartofOrganic and Biomolecular Chemistry, 1 (14), 335-344.
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleDetection and Quantitative Analysis of Two Independent Binding Modes of a Small Ligand Responsible for DC-SIGN Clusteringes
dc.typeinfo:eu-repo/semantics/articlees
dcterms.identifierhttps://ror.org/03yxnpp24
dc.type.versioninfo:eu-repo/semantics/acceptedVersiones
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.relation.publisherversionhttp://dx.doi.org/10.1039/C5OB02025Ees
dc.identifier.doi10.1039/C5OB02025Ees
idus.format.extent19es
dc.journaltitleOrganic and Biomolecular Chemistryes
dc.publication.volumen1es
dc.publication.issue14es
dc.publication.initialPage335es
dc.publication.endPage344es
dc.contributor.funderMinisterio de Ciencia e Innovación (MICIN). España

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