TY  - JOUR
AU  - dos Santos, Kelton L.B.
AU  - Cruz, Jorddy N.
AU  - Silva, Luciane B.
AU  - Ramos, Ryan S.
AU  - Neto, Moysés F.A.
AU  - Lobato, Cleison C.
AU  - Ota, Sirlene S.B.
AU  - Leite, Franco H.A.
AU  - Borges, Rosivaldo S.
AU  - da Silva, Carlos H.T.P.
AU  - Campos, Joaquín M.
AU  - Santos, Cleydson B.R.
PY  - 2020
DO  - 10.3390/molecules25051245
UR  - http://hdl.handle.net/10668/3861
T2  - Molecules
AB  - Adenosine Receptor Type 2A (A2AAR) plays a role in important processes, such as anti-inflammatory ones. In this way, the present work aimed to search for compounds by pharmacophore-based virtual screening. The pharmacokinetic/toxicological profiles of...
LA  - en
PB  - MDPI
KW  - Adenosine A2A receptor
KW  - Virtual screening
KW  - Molecular insight
KW  - Agonistas del receptor de adenosina A2
KW  - Cribado sistemático
KW  - Simulación del acoplamiento molecular
KW  - Relación estructura-actividad cuantitativa
KW  - Simulación de Dinámica Molecular
KW  - Medical Subject Headings::Chemicals and Drugs::Heterocyclic Compounds::Heterocyclic Compounds, 2-Ring::Purines::Purine Nucleosides::Adenosine
KW  - 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...
KW  - Medical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans
KW  - Medical Subject Headings::Chemicals and Drugs::Chemical Actions and Uses::Specialty Uses of Chemicals::Laboratory Chemicals::Ligands
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Docking Simulation
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Dynamics Simulation
KW  - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Structure-Activity Relationship::Quantitative Structure-Activity Relationship
KW  - Medical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins::Membrane Proteins::Receptors, Cell Surface::Receptors, Purinergic::Receptors, Purinergic P1::Receptors, Adenosine A2
KW  - Medical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins::Membrane Proteins::Receptors, Cell Surface::Receptors, Purinergic::Receptors, Purinergic P1
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Statistical::Linear Models
TI  - Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches
TY  - research article
ER  -