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dc.contributor.authorCitro, Valentina
dc.contributor.authorDen Haan, Helena
dc.contributor.authorDel Prete, Rosita
dc.contributor.authorLiguori, Ludovica
dc.contributor.authorCimmaruta, Chiara
dc.contributor.authorLukas, Jan
dc.contributor.authorCubellis, Maria Vittoria
dc.contributor.authorAndreotti, Giuseppina
dc.contributor.authorPérez Sánchez, Horacio
dc.contributor.authorPeña García, Jorge
dc.date.accessioned2017-05-24T13:18:43Z
dc.date.available2017-05-24T13:18:43Z
dc.date.issued2016-10-27
dc.identifier.urihttp://hdl.handle.net/10952/2318
dc.description.abstractPersonalized therapies are required for Fabry disease due to its large phenotypic spectrum and numerous different genotypes. In principle, missense mutations that do not affect the active site could be rescued with pharmacological chaperones. At present pharmacological chaperones for Fabry disease bind the active site and couple a stabilizing effect, which is required, to an inhibitory effect, which is deleterious. By in silico docking we identified an allosteric hot-spot for ligand binding where a drug-like compound, 2,6-dithiopurine, binds preferentially. 2,6-dithiopurine stabilizes lysosomal alpha-galactosidase in vitro and rescues a mutant that is not responsive to a mono-therapy with previously described pharmacological chaperones, 1-deoxygalactonojirimycin and galactose in a cell based assay.es
dc.description.sponsorshipFunding was provided by Telethon - Italy (Grant no. GGP12108). This work was partially supported by the Fundación Séneca del Centro de Coordinación de la Investigación de la Región de Murcia under Project 18946/JLI/13. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02).es
dc.language.isoenes
dc.rightsAttribution-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nd/4.0/*
dc.subjectFabryes
dc.subjectDrug discoveryes
dc.subjectHigh Performance Computinges
dc.subjectComputational Chemistryes
dc.titleIdentification of an Allosteric Binding Site on Human Lysosomal Alpha-Galactosidase Opens the Way to New Pharmacological Chaperones for Fabry Diseasees
dc.typearticlees
dc.rights.accessRightsopenAccesses
dc.journal.titlePLOS ONEes
dc.description.disciplineFarmaciaes
dc.description.disciplineMedicinaes


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