Computational and atomistic studies applied to the understanding of the structural and behavioral features of the immune checkpoint HLA-G molecule and gene

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Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorLuxembourg Centre for Systems Biomedicine-
Autor(es): dc.contributorService de Recherches en Hémato-Immunologie-
Autor(es): dc.contributorUniversité Paris-Cité-
Autor(es): dc.contributorUniversity of Houston-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.creatorAlves, Cinthia C.-
Autor(es): dc.creatorArns, Thaís-
Autor(es): dc.creatorOliveira, Maria L.-
Autor(es): dc.creatorMoreau, Philippe-
Autor(es): dc.creatorAntunes, Dinler A.-
Autor(es): dc.creatorCastelli, Erick C.-
Autor(es): dc.creatorMendes-Junior, Celso T.-
Autor(es): dc.creatorGiuliatti, Silvana-
Autor(es): dc.creatorDonadi, Eduardo A.-
Data de aceite: dc.date.accessioned2025-08-21T22:56:59Z-
Data de disponibilização: dc.date.available2025-08-21T22:56:59Z-
Data de envio: dc.date.issued2023-07-29-
Data de envio: dc.date.issued2023-07-29-
Data de envio: dc.date.issued2022-12-31-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.humimm.2023.01.004-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/249031-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/249031-
Descrição: dc.descriptionWe took advantage of the increasingly evolving approaches for in silico studies concerning protein structures, protein molecular dynamics (MD), protein-protein and protein-DNA docking to evaluate: (i) the structure and MD characteristics of the HLA-G well-recognized isoforms, (ii) the impact of missense mutations at HLA-G receptor genes (LILRB1/2), and (iii) the differential binding of the hypoxia-inducible factor 1 (HIF1) to hypoxia-responsive elements (HRE) at the HLA-G gene. Besides reviewing these topics, they were revisited including the following novel results: (i) the HLA-G6 isoforms were unstable docked or not with β2-microglobulin or peptide, (ii) missense mutations at LILRB1/2 genes, exchanging amino acids at the intracellular domain, particularly those located within and around the ITIM motifs, may impact the HLA-G binding strength, and (iii) HREs motifs at the HLA-G promoter or exon 2 regions exhibiting a guanine at their third position present a higher affinity for HIF1 when compared to an adenine at the same position. These data shed some light into the functional aspects of HLA-G, particularly how polymorphisms may influence the role of the molecule. Computational and atomistic studies have provided alternative tools for experimental physical methodologies, which are time-consuming, expensive, demanding large quantities of purified proteins, and exhibit low output.-
Descrição: dc.descriptionDepartment of Medicine Division of Clinical Immunology Ribeirão Preto Medical School University of São Paulo, SP-
Descrição: dc.descriptionLuxembourg Centre for Systems Biomedicine-
Descrição: dc.descriptionDepartment of Genetics Ribeirão Preto Medical School University of São Paulo, SP-
Descrição: dc.descriptionCEA DRF-Institut François Jacob Service de Recherches en Hémato-Immunologie, Hôpital Saint-Louis-
Descrição: dc.descriptionU976 HIPI Unit IRSL Université Paris-Cité-
Descrição: dc.descriptionDepartment of Biology and Biochemistry University of Houston-
Descrição: dc.descriptionDepartment of Pathology School of Medicine São Paulo State University (UNESP), SP-
Descrição: dc.descriptionDepartamento de Química Faculdade de Filosofia Ciências e Letras de Ribeirão Preto Universidade de São Paulo, SP-
Descrição: dc.descriptionDepartment of Pathology School of Medicine São Paulo State University (UNESP), SP-
Idioma: dc.languageen-
Relação: dc.relationHuman Immunology-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectHLA-G-
Palavras-chave: dc.subjectHypoxia-inducible factor 1-
Palavras-chave: dc.subjectIsoforms-
Palavras-chave: dc.subjectLILRB1-
Palavras-chave: dc.subjectLILRB2-
Título: dc.titleComputational and atomistic studies applied to the understanding of the structural and behavioral features of the immune checkpoint HLA-G molecule and gene-
Tipo de arquivo: dc.typevídeo-
Aparece nas coleções:Repositório Institucional - Unesp

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