Search Results - "da Silva, João Herminio Martins"
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Investigation of Unprecedented Sites and Proposition of New Ligands for Programmed Cell Death Protein I through Molecular Dynamics with Probes and Virtual Screening
Published in Journal of chemical information and modeling (14-03-2022)“…Cancer immunotherapy has attracted increasing attention over the last few years. Programmed cell death protein 1 (PD-1) promotes self-tolerance and inhibits…”
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Immunoinformatics-guided design of a multi-valent vaccine against Rotavirus and Norovirus (ChRNV22)
Published in Computers in biology and medicine (01-06-2023)“…Rotavirus (RV) and Norovirus (NV) are the main viral etiologic agents of acute gastroenteritis (AG), a serious pediatric condition associated with significant…”
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The CDR3 region as the major driver of TREM-1 interaction with its ligands, an in silico characterization
Published in Computational and structural biotechnology journal (01-01-2023)“…The triggering receptor expressed on myeloid cells-1 (TREM-1) is a pattern recognition receptor heavily investigated in infectious and non-infectious diseases…”
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Structural and molecular modeling features of P2X receptors
Published in International journal of molecular sciences (14-03-2014)“…Currently, adenosine 5'-triphosphate (ATP) is recognized as the extracellular messenger that acts through P2 receptors. P2 receptors are divided into two…”
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Polymorphisms in alternative oxidase genes from ecotypes of Arabidopsis and rice revealed an environment‐induced linkage to altitude and rainfall
Published in Physiologia plantarum (01-01-2023)“…We investigated SNPs in alternative oxidase (AOX) genes and their connection to ecotype origins (climate, altitude, and rainfall) by using genomic data sets of…”
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Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika
Published in Journal of chemical information and modeling (26-12-2022)“…The Zika virus (ZIKV) is a neurotropic arbovirus considered a global threat to public health. Although there have been several efforts in drug discovery…”
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Naturally acquired antibody response to a Plasmodium falciparum chimeric vaccine candidate GMZ2.6c and its components (MSP-3, GLURP, and Pfs48/45) in individuals living in Brazilian malaria-endemic areas
Published in Malaria journal (04-01-2022)“…The GMZ2.6c malaria vaccine candidate is a multi-stage Plasmodium falciparum chimeric protein which contains a fragment of the sexual-stage Pfs48/45-6C protein…”
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Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors
Published in Pharmaceuticals (Basel, Switzerland) (01-10-2022)“…Histone deacetylases (HDAC) are epigenetic enzymes responsible for repressing gene expression through the deacetylation of histone lysine residues. Therefore,…”
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Development of New Potential Inhibitors of β1 Integrins through In Silico Methods—Screening and Computational Validation
Published in Life (Basel, Switzerland) (22-06-2022)“…Integrins are transmembrane receptors that play a critical role in many biological processes which can be therapeutically modulated using integrin blockers,…”
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In silico Identification and Validation of a Linear and Naturally Immunogenic B-Cell Epitope of the Plasmodium vivax Malaria Vaccine Candidate Merozoite Surface Protein-9
Published in PloS one (20-01-2016)“…Synthetic peptide vaccines provide the advantages of safety, stability and low cost. The success of this approach is highly dependent on efficient epitope…”
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Polymorphisms in plastoquinol oxidase (PTOX) from Arabidopsis accessions indicate SNP-induced structural variants associated with altitude and rainfall
Published in Journal of bioenergetics and biomembranes (01-04-2019)“…Plant plastoquinol oxidase (PTOX) is a chloroplast oxidoreductase involved in carotenoid biosynthesis, chlororespiration, and response to environmental…”
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Plasmodium vivax metacaspase 1 (PvMCA1) catalytic domain is conserved in field isolates from Brazilian Amazon
Published in Memórias do Instituto Oswaldo Cruz (01-01-2021)“…In the present study, we investigated the genetic diversity of Plasmodium vivax metacaspase 1 ( Pv MCA1) catalytic domain in two municipalities of the main…”
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Differential expression of recently duplicated PTOX genes in Glycine max during plant development and stress conditions
Published in Journal of bioenergetics and biomembranes (01-10-2019)“…Plastid terminal oxidase (PTOX) is a chloroplast enzyme that catalyzes oxidation of plastoquinol (PQH 2 ) and reduction of molecular oxygen to water. Its…”
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Plasmodium vivax Cell-Traversal Protein for Ookinetes and Sporozoites: Naturally Acquired Humoral Immune Response and B-Cell Epitope Mapping in Brazilian Amazon Inhabitants
Published in Frontiers in immunology (07-02-2017)“…The cell-traversal protein for ookinetes and sporozoites (CelTOS), a highly conserved antigen involved in sporozoite motility, plays an important role in the…”
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Plasmodium vivax Cell Traversal Protein for Ookinetes and Sporozoites (PvCelTOS) gene sequence and potential epitopes are highly conserved among isolates from different regions of Brazilian Amazon
Published in PLoS neglected tropical diseases (01-02-2017)“…The Plasmodium vivax Cell-traversal protein for ookinetes and sporozoites (PvCelTOS) plays an important role in the traversal of host cells. Although essential…”
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Computationally-obtained structural insights into the molecular interactions between Pidilizumab and binding partners DLL1 and PD-1
Published in Journal of biomolecular structure & dynamics (22-09-2022)“…Pidilizumab is a monoclonal antibody tested against several types of malignancies, such as lymphoma and metastatic melanoma, showing promising results. In…”
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Antileishmanial drugs activate inflammatory signaling pathways via toll-like receptors (docking approach) from Leishmania amazonensis-infected macrophages
Published in International immunopharmacology (01-08-2020)“…•AmB, GLU and pent present predicted affinity with different TLRs from L. amazonensis-infected macrophages.•Antileishmanial drugs activate main inflammatory…”
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VLA-4 as a Central Target for Modulating Neuroinflammatory Disorders
Published in Neuroimmunomodulation (2021)“…The complex steps leading to the central nervous system (CNS) inflammation and the progress to neuroinflammatory and neurodegenerative disorders have opened up…”
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In silico identification of inhibitors of ribose 5-phosphate isomerase from Trypanosoma cruzi using ligand and structure based approaches
Published in Journal of molecular graphics & modelling (01-10-2017)“…[Display omitted] •Pharmacophore modeling of ribose 5-phosphate isomerase of Trypanosoma cruzi (TcRpi).•Screening of the ZINC Database, yielding 20,183…”
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In silico mapping of the dynamic interactions and structure-activity relationship of flavonoid compounds against the immune checkpoint programmed-cell death 1 pathway
Published in Frontiers in drug discovery (12-12-2022)“…Flavonoids are a class of natural products widely available in medicinal and dietary plants. Their pharmacological use has shown the potential to reduce the…”
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