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    Tytuł:
    Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions.
    Autorzy:
    Santos CBR; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, Brazil.; Graduate Program on Medicinal Chemistry and Molecular Modeling, Institute of Health Science, Federal University of Pará, Belém 66075-110, PA, Brazil.
    Lobato CC; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, Brazil.; Graduate Program on Medicinal Chemistry and Molecular Modeling, Institute of Health Science, Federal University of Pará, Belém 66075-110, PA, Brazil.
    Ota SSB; Graduate Program on Medicinal Chemistry and Molecular Modeling, Institute of Health Science, Federal University of Pará, Belém 66075-110, PA, Brazil.
    Silva RC; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, Brazil.; Graduate Program on Medicinal Chemistry and Molecular Modeling, Institute of Health Science, Federal University of Pará, Belém 66075-110, PA, Brazil.
    Bittencourt RCVS; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, Brazil.
    Freitas JJS; Laboratory of Morphophysiology Applied to Health, State University of Pará, Belém 66095-662, PA, Brazil.
    Ferreira EFB; Laboratory of Organic Chemistry and Biochemistry, University of the State of Amapá, Macapá 68900-070, AP, Brazil.
    Ferreira MB; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, Brazil.; Laboratory of Morphophysiology Applied to Health, State University of Pará, Belém 66095-662, PA, Brazil.
    Silva RC; Laboratory of Morphophysiology Applied to Health, State University of Pará, Belém 66095-662, PA, Brazil.
    De Lima AB; Laboratory of Morphophysiology Applied to Health, State University of Pará, Belém 66095-662, PA, Brazil.
    Campos JM; Department of Pharmaceutical and Organic Chemistry, Faculty of Pharmacy, Campus of Cartuja, University of Granada, 18071 Granada, Spain.; Biosanitary Institute of Granada (ibs.GRANADA), University of Granada, 18071 Granada, Spain.
    Borges RS; Graduate Program on Medicinal Chemistry and Molecular Modeling, Institute of Health Science, Federal University of Pará, Belém 66075-110, PA, Brazil.
    Bittencourt JAHM; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, AP, Brazil.
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    Źródło:
    Pharmaceuticals (Basel, Switzerland) [Pharmaceuticals (Basel)] 2023 Nov 09; Vol. 16 (11). Date of Electronic Publication: 2023 Nov 09.
    Typ publikacji:
    Journal Article
    Czasopismo naukowe
    Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
    Tytuł:
    Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach.
    Autorzy:
    Silva LB; Graduate Program in Medicinal Chemistry and Molecular Modeling, Health Science Institute, Federal University of Pará, Belém 66075-110, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
    Ferreira EFB; Laboratory of Organic Chemistry and Biochemistry, University of the State of Amapá, Macapá 68900-070, Brazil.
    Maryam; COMSATS University Islamabad, Park Road, Tarlai Kalan, Islamabad 45550, Pakistan.
    Espejo-Román JM; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Campus of Cartuja, University of Granada, 18071 Granada, Spain.
    Costa GV; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.; Laboratory of Biotechnology in Natural Products, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
    Cruz JV; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
    Kimani NM; Department of Physical Sciences, University of Embu, Embu P.O. Box 6-60100, Kenya.
    Costa JS; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
    Bittencourt JAHM; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
    Cruz JN; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
    Campos JM; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Campus of Cartuja, University of Granada, 18071 Granada, Spain.
    Santos CBR; Graduate Program in Medicinal Chemistry and Molecular Modeling, Health Science Institute, Federal University of Pará, Belém 66075-110, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá 68902-280, Brazil.
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    Źródło:
    Molecules (Basel, Switzerland) [Molecules] 2023 Jan 19; Vol. 28 (3). Date of Electronic Publication: 2023 Jan 19.
    Typ publikacji:
    Journal Article
    MeSH Terms:
    Cholinesterase Inhibitors*/chemistry
    Alzheimer Disease*/drug therapy
    Humans ; Galantamine/pharmacology ; Acetylcholinesterase/metabolism ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Enzyme Inhibitors/therapeutic use
    Czasopismo naukowe
    Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
    Tytuł:
    Chemical profiling of Curatella americana Linn leaves by UPLC-HRMS and its wound healing activity in mice.
    Autorzy:
    Fujishima MAT; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Toxicology, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.
    Sá DMC; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Toxicology, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.
    Lima CMS; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Toxicology, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.
    Bittencourt JAHM; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.
    Pereira WLA; Laboratory of Animal Pathology, Institute of Animal Production, Federal Rural University of Amazônia, Belém, Brazil.
    Muribeca AJB; Laboratory of Liquid Chromatography, Department of Chemistry, Federal University of Pará, Belém, Brazil.
    E Silva CYY; Laboratory of Liquid Chromatography, Department of Chemistry, Federal University of Pará, Belém, Brazil.
    da Silva MN; Laboratory of Liquid Chromatography, Department of Chemistry, Federal University of Pará, Belém, Brazil.
    de Sousa FFO; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.
    Dos Santos CBR; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.
    da Silva JO; Postgraduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá, AP, Brazil.; Laboratory of Toxicology, Department of Biological and Health Sciences, Federal University of Amapá, Macapá, AP, Brazil.
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    Źródło:
    PloS one [PLoS One] 2020 Jan 13; Vol. 15 (1), pp. e0225514. Date of Electronic Publication: 2020 Jan 13 (Print Publication: 2020).
    Typ publikacji:
    Journal Article; Research Support, Non-U.S. Gov't
    MeSH Terms:
    Dilleniaceae/*chemistry
    Plant Extracts/*pharmacology
    Wound Healing/*drug effects
    Animals ; Anti-Infective Agents/chemistry ; Anti-Infective Agents/pharmacology ; Brazil ; Catechin/isolation & purification ; Chromatography, Liquid ; Flavonoids/chemistry ; Flavonoids/pharmacology ; Glucosides/chemistry ; Glucosides/isolation & purification ; Humans ; Kaempferols/chemistry ; Kaempferols/isolation & purification ; Mice ; Plant Extracts/chemistry ; Plant Leaves/chemistry ; Quercetin/chemistry ; Quercetin/isolation & purification ; Tandem Mass Spectrometry
    Czasopismo naukowe
    Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
    Tytuł:
    In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity.
    Autorzy:
    Bittencourt JAHM; Graduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .
    Neto MFA; Laboratory of Molecular Modeling, State University of Feira de Santana, Feira de Santana-BA 44036-900, Brazil. .
    Lacerda PS; Laboratory of Bioinformatics and Molecular Modeling, School of Pharmacy, Federal University of Bahia, Barão de Jeremoabo Street, Salvador 40170-115, BA, Brazil. .
    Bittencourt RCVS; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .
    Silva RC; Computational Laboratory of Pharmaceutical Chemistry, University of Sao Paulo, Av. Prof. do Café, s/n - Monte Alegre, Ribeirão Preto, São Paulo 14040-903, Brazil. .
    Lobato CC; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .; Nucleus of Studies and Selection of Bioactive Molecules, Institute of Health Sciences, Federal University of Pará, Belém-PA 66075-110, Brazil. .
    Silva LB; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .
    Leite FHA; Laboratory of Molecular Modeling, State University of Feira de Santana, Feira de Santana-BA 44036-900, Brazil. .
    Zuliani JP; Laboratory Cellular Immunology Applied to Health, Oswaldo Cruz Foundation, FIOCRUZ Rondônia, Rua da Beira, 7671 BR-364, Porto Velho-RO 78912-000, Brazil. .
    Rosa JMC; Department of Pharmaceutical and Organic Chemistry, Faculty of Pharmacy, Institute of Biosanitary Research ibs.GRANADA. University of Granada, 18071 Granada, Spain. .
    Borges RS; Graduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .; Nucleus of Studies and Selection of Bioactive Molecules, Institute of Health Sciences, Federal University of Pará, Belém-PA 66075-110, Brazil. .
    Santos CBR; Graduate Program of Pharmaceutical Innovation, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP 68902-280, Brazil. .; Nucleus of Studies and Selection of Bioactive Molecules, Institute of Health Sciences, Federal University of Pará, Belém-PA 66075-110, Brazil. .
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    Źródło:
    Molecules (Basel, Switzerland) [Molecules] 2019 Apr 15; Vol. 24 (8). Date of Electronic Publication: 2019 Apr 15.
    Typ publikacji:
    Journal Article
    MeSH Terms:
    Computer Simulation*
    Molecular Docking Simulation*
    Anti-Inflammatory Agents, Non-Steroidal/*chemistry
    Benzoates/*chemistry
    Cyclooxygenase 2/*chemistry
    Cyclooxygenase 2 Inhibitors/*chemistry
    Ibuprofen/*chemistry
    Propionates/*chemistry
    Animals ; Humans ; Mice ; Rats
    Czasopismo naukowe
    Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
    Tytuł:
    Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening.
    Autorzy:
    Cruz JV; Postgraduate Program in Pharmaceutical Sciences, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    Neto MFA; Laboratory Molecular Modeling, Estadual University of Feira de Santana, Bahia 44036-900, Brazil. .
    Silva LB; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    da S Ramos R; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    da S Costa J; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    Brasil DSB; Institute of Technology, Federal University of Pará, Pará, Amazon, Belém 66075-900, Brazil. .
    Lobato CC; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    da Costa GV; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    Bittencourt JAHM; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
    da Silva CHTP; Laboratory of Computational Pharmaceutical Chemistry, Faculty of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, São Paulo 14040-020, Brazil. .
    Leite FHA; Laboratory Molecular Modeling, Estadual University of Feira de Santana, Bahia 44036-900, Brazil. .
    Santos CBR; Postgraduate Program in Pharmaceutical Sciences, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .; Laboratory of Modeling and Computational Chemistry, Federal University of Amapá, Macapá, Amapá 68902-280, Brazil. .
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    Źródło:
    Molecules (Basel, Switzerland) [Molecules] 2018 Feb 18; Vol. 23 (2). Date of Electronic Publication: 2018 Feb 18.
    Typ publikacji:
    Journal Article
    MeSH Terms:
    Imidazoles/*chemistry
    Inflammation/*drug therapy
    Protein Kinase Inhibitors/*chemistry
    Pyridazines/*chemistry
    Receptor-Interacting Protein Serine-Threonine Kinase 2/*antagonists & inhibitors
    Crystallography, X-Ray ; Humans ; Imidazoles/therapeutic use ; Molecular Docking Simulation ; Protein Kinase Inhibitors/therapeutic use ; Pyridazines/therapeutic use ; Receptor-Interacting Protein Serine-Threonine Kinase 2/chemistry ; Signal Transduction/drug effects ; User-Computer Interface
    Czasopismo naukowe
    Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
      Wyświetlanie 1-5 z 5

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