Please use this identifier to cite or link to this item: https://hdl.handle.net/10316/108709
DC FieldValueLanguage
dc.contributor.authorGuedes, Romina A.-
dc.contributor.authorSerra, Patrícia-
dc.contributor.authorSalvador, Jorge A. R.-
dc.contributor.authorGuedes, Rita C.-
dc.date.accessioned2023-09-08T11:17:51Z-
dc.date.available2023-09-08T11:17:51Z-
dc.date.issued2016-07-16-
dc.identifier.issn1420-3049pt
dc.identifier.urihttps://hdl.handle.net/10316/108709-
dc.description.abstractProteasome emerged as an important target in recent pharmacological research due to its pivotal role in degrading proteins in the cytoplasm and nucleus of eukaryotic cells, regulating a wide variety of cellular pathways, including cell growth and proliferation, apoptosis, DNA repair, transcription, immune response, and signaling processes. The last two decades witnessed intensive efforts to discover 20S proteasome inhibitors with significant chemical diversity and efficacy. To date, the US FDA approved to market three proteasome inhibitors: bortezomib, carfilzomib, and ixazomib. However new, safer and more efficient drugs are still required. Computer-aided drug discovery has long being used in drug discovery campaigns targeting the human proteasome. The aim of this review is to illustrate selected in silico methods like homology modeling, molecular docking, pharmacophore modeling, virtual screening, and combined methods that have been used in proteasome inhibitors discovery. Applications of these methods to proteasome inhibitors discovery will also be presented and discussed to raise improvements in this particular field.pt
dc.language.isoengpt
dc.publisherMDPIpt
dc.relationSFRH/BD/104441/2014pt
dc.relationPTDC/QEQ-MED/7042/2014pt
dc.relationUID/DTP/04138/2013pt
dc.rightsopenAccesspt
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt
dc.subjectcancerpt
dc.subjectproteasome inhibitorspt
dc.subjectcomputer-aided drug designpt
dc.subjectvirtual screeningpt
dc.subjectmolecular dockingpt
dc.subjectpharmacophore modelpt
dc.subject.meshAntineoplastic Agentspt
dc.subject.meshBinding Sitespt
dc.subject.meshCatalytic Domainpt
dc.subject.meshDrug Designpt
dc.subject.meshHumanspt
dc.subject.meshMolecular Conformationpt
dc.subject.meshMolecular Docking Simulationpt
dc.subject.meshMolecular Dynamics Simulationpt
dc.subject.meshMolecular Structurept
dc.subject.meshProteasome Endopeptidase Complexpt
dc.subject.meshProteasome Inhibitorspt
dc.subject.meshProtein Bindingpt
dc.subject.meshComputer Simulationpt
dc.subject.meshDrug Discoverypt
dc.titleComputational Approaches for the Discovery of Human Proteasome Inhibitors: An Overviewpt
dc.typearticle-
degois.publication.firstPage927pt
degois.publication.issue7pt
degois.publication.titleMoleculespt
dc.peerreviewedyespt
dc.identifier.doi10.3390/molecules21070927pt
degois.publication.volume21pt
dc.date.embargo2016-07-16*
uc.date.periodoEmbargo0pt
item.fulltextCom Texto completo-
item.cerifentitytypePublications-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.openairetypearticle-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0003-0779-6083-
Appears in Collections:I&D CNC - Artigos em Revistas Internacionais
FFUC- Artigos em Revistas Internacionais
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