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dc.contributor.authorSebastián-Pérez, Víctor
dc.contributor.authorManoli, Maria-Tsampika
dc.contributor.authorPérez, Daniel I
dc.contributor.authorGil, Carmen
dc.contributor.authorMellado, Emilia 
dc.contributor.authorMartínez, Ana
dc.contributor.authorEspeso, Eduardo A
dc.contributor.authorCampillo, Nuria E
dc.identifier.citationEur J Med Chem. 2016 Jun 30;116:281-289.es_ES
dc.description.abstractInvasive aspergillosis (IA) is one of the most severe forms of fungi infection. IA disease is mainly due to Aspergillus fumigatus, an air-borne opportunistic pathogen. Mortality rate caused by IA is still very high (50-95%), because of difficulty in early diagnostics and reduced antifungal treatment options, thus new and efficient drugs are necessary. The aim of this work is, using Aspergillus nidulans as non-pathogen model, to develop efficient drugs to treat IA. The recent discovered role of glycogen synthase kinase-3 homologue, GskA, in A. fumigatus human infection and our previous experience on human GSK-3 inhibitors focus our attention on this kinase as a target for the development of antifungal drugs. With the aim to identify effective inhibitors of colonial growth of A. fumigatus we use A. nidulans as an accurate model for in vivo and in silico studies. Several well-known human GSK-3β inhibitors were tested for inhibition of A. nidulans colony growth. Computational tools as docking studies and binding site prediction was used to explain the different biological profile of the tested inhibitors. Three of the five tested hGSK3β inhibitors are able to reduce completely the colonial growth by covalent bind to the enzyme. Therefore these compounds may be useful in different applications to eradicate IA.es_ES
dc.description.sponsorshipSAF2012-37979-C03-01 to A.M; BFU2012-33142 to E.A.Ees_ES
dc.publisherElsevier es_ES
dc.subjectAspergillus nidulanses_ES
dc.subjectAspergillus fumigatuses_ES
dc.subjectGSK-3 inhibitorses_ES
dc.subject.meshDrug Repositioning es_ES
dc.subject.meshAmino Acid Sequence es_ES
dc.subject.meshAntifungal Agents es_ES
dc.subject.meshAspergillus fumigatus es_ES
dc.subject.meshEnzyme Inhibitors es_ES
dc.subject.meshGlycogen Synthase Kinase 3 es_ES
dc.subject.meshHumans es_ES
dc.subject.meshMolecular Docking Simulation es_ES
dc.subject.meshProtein Conformation es_ES
dc.titleNew applications for known drugs: Human glycogen synthase kinase 3 inhibitors as modulators of Aspergillus fumigatus growthes_ES
dc.typejournal articlees_ES
dc.rights.licenseAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.identifier.journalEuropean Journal of Medicinal Chemistryes_ES
dc.repisalud.centroISCIII::Centro Nacional de Microbiologíaes_ES
dc.rights.accessRightsopen accesses_ES

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Attribution-NonCommercial-NoDerivatives 4.0 Internacional
This item is licensed under a: Attribution-NonCommercial-NoDerivatives 4.0 Internacional