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المؤلفون: Sebastião Gomes Silva, Joaquín M. Campos, Pedro H F Araújo, Cleydson B. R. Santos, José M Espejo-Román, Ryan da Silva Ramos, Williams Jorge da Cruz Macêdo, Lúcio R de Lima, Jorddy Neves Cruz, Elenilze F B Ferreira
المساهمون: [Araújo,PHF, Ferreira,EFB, Macedo,WJC, Santos,CBR] Graduate Program in Innovation Pharmaceutical, Federal University of Amapá, Amapá-AP, Brazil. [Araújo,PHF, Ramos,RS, da Cruz,JN, de Lima,LR, Santos,CBR] Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP, Brazil. [Silva,SG] Campus Abaetetuba, Universidade Federal do Para, Abaetetuba, Pará, Brazil. [Ferreira,EFB] Laboratory of Organic Chemistry and Biochemistry, University of State of Amapá, Macapá-AP, Brazil. [Macedo,WJC, Santos,CBR] Laboratory of Molecular Modeling and Simulation System, Federal Rural University of Amazônia, Capanema, Pará-PA, Brazil. [Espejo-Román,JM, Campos,JM] Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Biosanitary Institute of Granada (Ibs.GRANADA), University of Granada, Granada, Spain.
المصدر: Molecules, Vol 25, Iss 4183, p 4183 (2020)
Molecules
Digibug. Repositorio Institucional de la Universidad de Granada
instname
Digibug: Repositorio Institucional de la Universidad de Granada
Universidad de Granada (UGR)
Volume 25
Issue 18مصطلحات موضوعية: Phenomena and Processes::Chemical Phenomena::Chemical Processes::Biochemical Processes::Protein Binding [Medical Subject Headings], Molecular model, Drug Evaluation, Preclinical, Pharmaceutical Science, Quantitative Structure-Activity Relationship, Inhibidores de la ciclooxigenasa 2, Phenomena and Processes::Physiological Phenomena::Pharmacological Phenomena::Structure-Activity Relationship::Quantitative Structure-Activity Relationship [Medical Subject Headings], 01 natural sciences, In vivo tests, Analytical Chemistry, Madin Darby Canine Kidney Cells, Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans [Medical Subject Headings], Lactones, Information Science::Information Science::Computing Methodologies::Software [Medical Subject Headings], Drug Discovery, Organisms::Eukaryota::Animals [Medical Subject Headings], Sulfones, 0303 health sciences, Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Carnivora::Canidae::Dogs [Medical Subject Headings], Molecular Structure, Chemistry, Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Evaluation, Preclinical [Medical Subject Headings], Molecular Docking Simulation, Anatomy::Cells::Epithelial Cells::Caco-2 Cells [Medical Subject Headings], in silico, Chemistry (miscellaneous), Lipinski's rule of five, Molecular Medicine, Regression Analysis, Pharmacophore, Protein Binding, Quantitative structure–activity relationship, In silico, 030303 biophysics, Phenomena and Processes::Physiological Phenomena::Pharmacological Phenomena::Inhibitory Concentration 50 [Medical Subject Headings], Computational biology, Diseño de fármacos, Chemicals and Drugs::Chemical Actions and Uses::Pharmacologic Actions::Therapeutic Uses::Anti-Inflammatory Agents::Anti-Inflammatory Agents, Non-Steroidal::Cyclooxygenase Inhibitors::Cyclooxygenase 2 Inhibitors [Medical Subject Headings], Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Docking Simulation [Medical Subject Headings], Article, Permeability, COX-2 inhibitors, lcsh:QD241-441, 03 medical and health sciences, Inhibitory Concentration 50, Phenomena and Processes::Chemical Phenomena::Molecular Structure [Medical Subject Headings], Dogs, lcsh:Organic chemistry, Animals, Humans, Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Design [Medical Subject Headings], Physical and Theoretical Chemistry, Chemicals and Drugs::Organic Chemicals::Sulfur Compounds::Sulfones [Medical Subject Headings], Inflammation, Virtual screening, Simulación por computador, Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Epidemiologic Methods::Statistics as Topic::Regression Analysis [Medical Subject Headings], Binding Sites, Cyclooxygenase 2 Inhibitors, molecular modeling, Organic Chemistry, Information Science::Information Science::Computing Methodologies::Computer Simulation [Medical Subject Headings], Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Molecular Structure::Binding Sites [Medical Subject Headings], Zinc database, Phenomena and Processes::Chemical Phenomena::Permeability [Medical Subject Headings], 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Chemicals and Drugs::Organic Chemicals::Lactones [Medical Subject Headings], Celecoxib, Anatomy::Cells::Cells, Cultured::Cell Line::Madin Darby Canine Kidney Cells [Medical Subject Headings], Caco-2 Cells, Diseases::Pathological Conditions, Signs and Symptoms::Pathologic Processes::Inflammation [Medical Subject Headings], Software
وصف الملف: application/pdf
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8
المؤلفون: Rosivaldo S. Borges, Luciane B. Silva, Jorddy Neves Cruz, Sirlene S. B. Ota, Kelton L. B. Santos, Franco Henrique Andrade Leite, Moysés Fagundes de Araújo Neto, Carlos Henrique Tomich de Paula da Silva, Ryan da Silva Ramos, Joaquín M. Campos, Cleison C. Lobato, Cleydson B. R. Santos
المساهمون: [Dos Santos,KLB, Cruz,JN, Silva,LB, Ramos,RS, Lobato,CC, Borges,RS, Santos,CBR] Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapá-AP, Brazil. [Dos Santos,KLB, Ota,SSB, Santos,CBR] Nucleus of Studies and Selection of Bioactive Molecules, Institute of Health Sciences, Federal University of Pará, Belém-PA, Brazil. [Neto,MFA, Leite,FHA, ] Laboratory of Molecular Modeling, State University of Feira de Santana, Feira de Santana, Bahia, Brazil. [da SIlva,CHTP] Computational Laboratory of Pharmaceutical Chemistry, University of São Paulo, Ribeirão Preto-SP, Brazil. [da SIlva,CHTP] Department of Chemistry, Faculty of Philosophy, Sciences and Letters of Ribeirão Preto, University of São Paulo, Ribeirão Preto-SP, Brazil. [Campos,JM] Department of Pharmaceutical and Organic Chemistry, Faculty of Pharmacy, Institute of Biosanitary, Research ibs. Granada, University of Granada, Granada, Spain.
المصدر: Molecules
Volume 25
Issue 5
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Molecules, Vol 25, Iss 5, p 1245 (2020)
Digibug. Repositorio Institucional de la Universidad de Granada
instnameمصطلحات موضوعية: Adenosine, Molecular model, Pharmaceutical Science, Quantitative Structure-Activity Relationship, Relación estructura-actividad cuantitativa, Ligands, Chemicals and Drugs::Chemical Actions and Uses::Specialty Uses of Chemicals::Laboratory Chemicals::Ligands [Medical Subject Headings], Analytical Chemistry, Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Structure-Activity Relationship::Quantitative Structure-Activity Relationship [Medical Subject Headings], Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans [Medical Subject Headings], Molecular dynamics, Simulación del acoplamiento molecular, Drug Discovery, Agonistas del receptor de adenosina A2, 0303 health sciences, Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Dynamics Simulation [Medical Subject Headings], Chemistry, Biological activity, Chemicals and Drugs::Heterocyclic Compounds::Heterocyclic Compounds, 2-Ring::Purines::Purine Nucleosides::Adenosine [Medical Subject Headings], Molecular Docking Simulation, INDÚSTRIA FARMACÊUTICA, Cribado sistemático, Chemistry (miscellaneous), Molecular Medicine, BindingDB, Pharmacophore, Virtual screening, Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins::Membrane Proteins::Receptors, Cell Surface::Receptors, Purinergic::Receptors, Purinergic P1::Receptors, Adenosine A2 [Medical Subject Headings], Quantitative structure–activity relationship, Adenosine A2 Receptor Agonists, 030303 biophysics, Computational biology, Adenosine A2A receptor, Molecular Dynamics Simulation, Article, Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Docking Simulation [Medical Subject Headings], Chemicals and Drugs::Chemical Actions and Uses::Pharmacologic Actions::Molecular Mechanisms of Pharmacological Action::Neurotransmitter Agents::Purinergic Agents::Purinergic Agonists::Purinergic P1 Receptor Agonists::Adenosine A2 Receptor Agonists [Medical Subject Headings], lcsh:QD241-441, 03 medical and health sciences, lcsh:Organic chemistry, Molecular insight, Humans, Physical and Theoretical Chemistry, 030304 developmental biology, Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins::Membrane Proteins::Receptors, Cell Surface::Receptors, Purinergic::Receptors, Purinergic P1 [Medical Subject Headings], adenosine A2A receptor, Receptors, Adenosine A2, Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Statistical::Linear Models [Medical Subject Headings], Organic Chemistry, virtual screening, Simulación de Dinámica Molecular, Docking (molecular), molecular insight
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d76f470392d39889753e07fcacdf898a
https://hdl.handle.net/10668/3861 -
9دورية أكاديمية
المؤلفون: Tomaz APKA; Instituto Nacional de Câncer. Rio de Janeiro, Rio de Janeiro, Brazil., Antunes RF; Hospital Israelita Albert Einstein. São Paulo, São Paulo, Brazil., Dib RV; Instituto Nacional de Câncer. Rio de Janeiro, Rio de Janeiro, Brazil., Ramos RS; Instituto Nacional de Câncer. Rio de Janeiro, Rio de Janeiro, Brazil.; Universidade do Estado do Rio de Janeiro. Rio de Janeiro, Rio de Janeiro, Brazil., Nascimento FPB; Universidade Federal do Rio de Janeiro. Rio de Janeiro, Rio de Janeiro, Brazil., Jesus SA; Instituto Nacional de Câncer. Rio de Janeiro, Rio de Janeiro, Brazil.; Universidade Federal do Rio de Janeiro. Rio de Janeiro, Rio de Janeiro, Brazil., Sousa KHJF; Universidade Federal do Rio de Janeiro. Rio de Janeiro, Rio de Janeiro, Brazil., Zeitoune RCG; Universidade Federal do Rio de Janeiro. Rio de Janeiro, Rio de Janeiro, Brazil.
المصدر: Revista brasileira de enfermagem [Rev Bras Enferm] 2024 Jul 19; Vol. 77 (2), pp. e20230383. Date of Electronic Publication: 2024 Jul 19 (Print Publication: 2024).
نوع المنشور: Journal Article
بيانات الدورية: Publisher: Associacao Brasileira de Enfermagem Country of Publication: Brazil NLM ID: 7910105 Publication Model: eCollection Cited Medium: Internet ISSN: 1984-0446 (Electronic) Linking ISSN: 00347167 NLM ISO Abbreviation: Rev Bras Enferm Subsets: MEDLINE
مواضيع طبية MeSH: Spirituality* , Oncology Nursing*/methods , Oncology Nursing*/standards, Humans ; Male ; Female ; Adult ; Surveys and Questionnaires ; Brazil ; Cross-Sectional Studies ; Middle Aged ; Nursing Care/methods ; Nursing Care/psychology ; Attitude of Health Personnel ; Neoplasms/psychology ; Neoplasms/nursing
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10دورية أكاديمية
المؤلفون: Bastos RS; Graduate Program in Medicinal Chemistry and Molecular Modeling, Federal University of Pará, Belém 66075-110, PA, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapa 68903-419, AP, Brazil., de Aguiar CPO; Graduate Program in Medicinal Chemistry and Molecular Modeling, Federal University of Pará, Belém 66075-110, PA, Brazil., Cruz JN; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapa 68903-419, AP, Brazil., Ramos RS; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapa 68903-419, AP, Brazil., Kimani NM; Department of Physical Sciences, University of Embu, Embu P.O. Box 6-60100, Kenya.; Natural Product Chemistry and Computational Drug Discovery Laboratory, Embu P.O. Box 6-60100, Kenya., de Souza JSN; Chemistry Department, Federal University of Piauí, Teresina 64049-550, PI, Brazil., Chaves MH; Chemistry Department, Federal University of Piauí, Teresina 64049-550, PI, Brazil., de Freitas HF; Laboratory of Bioinformatics and Molecular Modeling (LaBiMM), Federal University of Bahia, Av. Barão de Jeremoabo, 147, Pharmacy College, Ondina, Salvador 40170-115, BA, Brazil., Pita SSR; Laboratory of Bioinformatics and Molecular Modeling (LaBiMM), Federal University of Bahia, Av. Barão de Jeremoabo, 147, Pharmacy College, Ondina, Salvador 40170-115, BA, Brazil., Santos CBRD; Graduate Program in Medicinal Chemistry and Molecular Modeling, Federal University of Pará, Belém 66075-110, PA, Brazil.; Laboratory of Modeling and Computational Chemistry, Department of Biological and Health Sciences, Federal University of Amapá, Macapa 68903-419, AP, Brazil.
المصدر: International journal of molecular sciences [Int J Mol Sci] 2024 Jun 18; Vol. 25 (12). Date of Electronic Publication: 2024 Jun 18.
نوع المنشور: Journal Article
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE
مواضيع طبية MeSH: Molecular Docking Simulation* , SARS-CoV-2*/drug effects , Molecular Dynamics Simulation* , COVID-19 Drug Treatment* , Coronavirus 3C Proteases*/antagonists & inhibitors , Coronavirus 3C Proteases*/chemistry , Coronavirus 3C Proteases*/metabolism, Humans ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; Hydrogen Bonding ; Ligands ; COVID-19/virology ; Protein Binding
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