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Molecular Recognition Insights of Sialic Acid Glycans by Distinct Receptors Unveiled by NMR and Molecular Modeling

dc.contributor.authorSoares, Cátia Oliveira
dc.contributor.authorGrosso, Ana Sofia
dc.contributor.authorEreño-Orbea, June
dc.contributor.authorCoelho, Helena
dc.contributor.authorMarcelo, Filipa
dc.contributor.institutionDQ - Departamento de Química
dc.contributor.institutionUCIBIO - Applied Molecular Biosciences Unit
dc.contributor.pblFrontiers Media
dc.date.accessioned2022-02-15T23:37:27Z
dc.date.available2022-02-15T23:37:27Z
dc.date.issued2021-11-15
dc.descriptionIF/ 00780/2015 PTDC/BIA-MIB/31028/2017 UIDP/04378/2020 UIDB/04378/2020 LA/P/0140/2020 SFRH/BD/140394/2018 2020.03261. CEECIND CA18132 PID 2019-107770RA-I00 H2020-MSCA-ITN-2020 agency for the Glytunes project (956758).
dc.description.abstractAll cells are decorated with a highly dense and complex structure of glycan chains, which are mostly attached to proteins and lipids. In this context, sialic acids are a family of nine-carbon acidic monosaccharides typically found at the terminal position of glycan chains, modulating several physiological and pathological processes. Sialic acids have many structural and modulatory roles due to their negative charge and hydrophilicity. In addition, the recognition of sialic acid glycans by mammalian cell lectins, such as siglecs, has been described as an important immunological checkpoint. Furthermore, sialic acid glycans also play a pivotal role in host–pathogen interactions. Various pathogen receptors exposed on the surface of viruses and bacteria are responsible for the binding to sialic acid sugars located on the surface of host cells, becoming a critical point of contact in the infection process. Understanding the molecular mechanism of sialic acid glycans recognition by sialic acid-binding proteins, present on the surface of pathogens or human cells, is essential to realize the biological mechanism of these events and paves the way for the rational development of strategies to modulate sialic acid-protein interactions in diseases. In this perspective, nuclear magnetic resonance (NMR) spectroscopy, assisted with molecular modeling protocols, is a versatile and powerful technique to investigate the structural and dynamic aspects of glycoconjugates and their interactions in solution at the atomic level. NMR provides the corresponding ligand and protein epitopes, essential for designing and developing potential glycan-based therapies. In this review, we critically discuss the current state of knowledge about the structural features behind the molecular recognition of sialic acid glycans by different receptors, naturally present on human cells or pathogens, disclosed by NMR spectroscopy and molecular modeling protocols.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent2360296
dc.identifier.doi10.3389/fmolb.2021.727847
dc.identifier.issn2296-889X
dc.identifier.otherPURE: 41769957
dc.identifier.otherPURE UUID: ec50a706-b7b1-4f7d-bd55-114ca0756793
dc.identifier.otherScopus: 85120475528
dc.identifier.otherPubMed: 34869580
dc.identifier.otherPubMedCentral: PMC8634706
dc.identifier.otherWOS: 000726077500001
dc.identifier.urihttp://hdl.handle.net/10362/132995
dc.identifier.urlhttps://www.scopus.com/pages/publications/85120475528
dc.language.isoeng
dc.peerreviewedyes
dc.subjectbacteria
dc.subjectmolecular recognition
dc.subjectNuclear Magnetic Resonance
dc.subjectsialic-acid
dc.subjectsiglecs
dc.subjectvirus
dc.subjectBiochemistry
dc.subjectBiochemistry, Genetics and Molecular Biology (miscellaneous)
dc.subjectMolecular Biology
dc.subjectSDG 3 - Good Health and Well-being
dc.titleMolecular Recognition Insights of Sialic Acid Glycans by Distinct Receptors Unveiled by NMR and Molecular Modelingen
dc.typereview
degois.publication.titleFrontiers in Molecular Biosciences
degois.publication.volume8
dspace.entity.typePublication
rcaap.rightsopenAccess

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