Cargando…

Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA(2A)R in Nearly Physiological Conditions

Lipid composition may significantly affect membrane proteins function, yet its impact on the protein structural determinants is not well understood. Here we present a comparative molecular dynamics (MD) study of the human adenosine receptor type 2A (hA(2A)R) in complex with caffeine—a system of high...

Descripción completa

Detalles Bibliográficos
Autores principales:	Cao, Ruyin, Rossetti, Giulia, Bauer, Andreas, CarIoni, Paolo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4439127/ https://www.ncbi.nlm.nih.gov/pubmed/25992797 http://dx.doi.org/10.1371/journal.pone.0126833

Ejemplares similares

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study
por: Cao, Ruyin, et al.
Publicado: (2018)

Divergent Effects of the Nonselective Adenosine Receptor Antagonist Caffeine in Pre-Manifest and Motor-Manifest Huntington’s Disease
por: Achenbach, Jannis, et al.
Publicado: (2022)

Caffeine and Selective Adenosine Receptor Antagonists as New Therapeutic Tools for the Motivational Symptoms of Depression
por: López-Cruz, Laura, et al.
Publicado: (2018)

Pathways and Mechanism of Caffeine Binding to Human Adenosine A(2A) Receptor
por: Do, Hung N., et al.
Publicado: (2021)

Sex Differences and Caffeine Impact in Adenosine-Induced Hyperemia
por: Lassen, Martin Lyngby, et al.
Publicado: (2022)

Do caffeine and more selective adenosine A(2A) receptor antagonists protect against dopaminergic neurodegeneration in Parkinson’s disease?
por: Chen, Jiang-Fan, et al.
Publicado: (2020)

Adenosine, caffeine, and sleep–wake regulation: state of the science and perspectives
por: Reichert, Carolin Franziska, et al.
Publicado: (2022)

Computational studies of the binding modes of A(2A) adenosine receptor antagonists
por: Ye, Y., et al.
Publicado: (2007)

Caffeine Treatment Promotes Differentiation and Maturation of Hypoxic Oligodendrocytes via Counterbalancing Adenosine 1 Adenosine Receptor-Induced Calcium Overload
por: Cao, Ting, et al.
Publicado: (2019)

Physiological and Therapeutical Action of Caffein
Publicado: (1868)

Retracted: Caffeine Treatment Promotes Differentiation and Maturation of Hypoxic Oligodendrocytes via Counterbalancing Adenosine 1 Adenosine Receptor-Induced Calcium Overload
por: Cao, Ting, et al.
Publicado: (2023)

Regulation of aggregate size and pattern by adenosine and caffeine in cellular slime molds
por: Jaiswal, Pundrik, et al.
Publicado: (2012)

Caffeine and a selective adenosine A(2A )receptor antagonist induce sensitization and cross-sensitization behavior associated with increased striatal dopamine in mice
por: Hsu, Chih W, et al.
Publicado: (2010)

Lifespan Extension Induced by Caffeine in Caenorhabditis elegans is Partially Dependent on Adenosine Signaling
por: Bridi, Jessika Cristina, et al.
Publicado: (2015)

New Developments on the Adenosine Mechanisms of the Central Effects of Caffeine and Their Implications for Neuropsychiatric Disorders
por: Ferré, Sergi, et al.
Publicado: (2018)

Neuronal adenosine A(2A) receptors signal ergogenic effects of caffeine
por: Aguiar, Aderbal S., et al.
Publicado: (2020)

Structural and Energetic Effects of A(2A) Adenosine Receptor Mutations on Agonist and Antagonist Binding
por: Keränen, Henrik, et al.
Publicado: (2014)

Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics
por: Zeng, Juan, et al.
Publicado: (2018)

Binding Modes and Metabolism of Caffeine
por: Jandova, Zuzana, et al.
Publicado: (2019)

KD-64—A new selective A(2A) adenosine receptor antagonist has anti-inflammatory activity but contrary to the non-selective antagonist—Caffeine does not reduce diet-induced obesity in mice
por: Kotańska, Magdalena, et al.
Publicado: (2020)

Effect of Adenosine Receptor Antagonists on Adenosine-Pretreated PC12 Cells Exposed to Paraquat
por: Shang, Liangcheng, et al.
Publicado: (2022)

Adenosine A(2A) Receptor Binding Profile of Two Antagonists, ST1535 and KW6002: Consideration on the Presence of Atypical Adenosine A(2A) Binding Sites
por: Riccioni, Teresa, et al.
Publicado: (2010)

The caffeine-binding adenosine A(2A) receptor induces age-like HPA-axis dysfunction by targeting glucocorticoid receptor function
por: Batalha, Vânia L., et al.
Publicado: (2016)

Caffeine Acts via A1 Adenosine Receptors to Disrupt Embryonic Cardiac Function
por: Buscariollo, Daniela L., et al.
Publicado: (2011)

Uncovering Caffeine’s Adenosine A(2A) Receptor Inverse Agonism in Experimental Parkinsonism
por: Fernández-Dueñas, Víctor, et al.
Publicado: (2014)

Caffeine for Prevention of Alzheimer’s Disease: Is the A(2A) Adenosine Receptor Its Target?
por: Merighi, Stefania, et al.
Publicado: (2023)

Design, Synthesis and Biological Evaluation of 1,3,5-Triazine Derivatives Targeting hA(1) and hA(3) Adenosine Receptor
por: Park, Sujin, et al.
Publicado: (2022)

Irreversible Antagonists for the Adenosine A(2B) Receptor †
por: Temirak, Ahmed, et al.
Publicado: (2022)

Inhibition of pre-ischeamic conditioning in the mouse caudate brain slice by NMDA- or adenosine A(1) receptor antagonists
por: Chauhan, Nikky K., et al.
Publicado: (2013)

Caffeine intake inverts the effect of adenosine on myocardial perfusion during stress as measured by T1 mapping
por: Kuijpers, Dirkjan, et al.
Publicado: (2016)

Effects of caffeine on the detection of ischemia in patients undergoing adenosine stress cardiovascular magnetic resonance imaging
por: Greulich, Simon, et al.
Publicado: (2017)

Adenosine A(2A) Receptor Occupancy by Caffeine After Coffee Intake in Parkinson's Disease
por: Ishibashi, Kenji, et al.
Publicado: (2022)

Effects of Chronic Caffeine Consumption on Synaptic Function, Metabolism and Adenosine Modulation in Different Brain Areas
por: Lopes, Cátia R., et al.
Publicado: (2023)

Pharmacological characterisation of novel adenosine A(3) receptor antagonists
por: Barkan, Kerry, et al.
Publicado: (2020)

Effect of adenosine and adenosine receptor antagonist on Müller cell potassium channel in Rat chronic ocular hypertension models
por: Yang, Zijian, et al.
Publicado: (2015)

The purinergic receptor antagonist oxidized adenosine triphosphate suppresses immune-mediated corneal allograft rejection
por: Foulsham, William, et al.
Publicado: (2019)

Triborheological Study under Physiological Conditions of PVA Hydrogel/HA Lubricant as Synthetic System for Soft Tissue Replacement
por: Duque-Ossa, Laura C., et al.
Publicado: (2021)

X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A(2A) Adenosine Receptor Antagonists
por: Jespers, Willem, et al.
Publicado: (2020)

A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway
por: Wurm, Melanie, et al.
Publicado: (2021)

Impact of caffeine on myocardial perfusion reserve assessed by semiquantitative adenosine stress perfusion cardiovascular magnetic resonance
por: Seitz, Andreas, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_bhbhh34ethla19tkka0br0672j