Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological Conditions.

Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR 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 hig...

Full description

Bibliographic Details
Main Authors:	Ruyin Cao, Giulia Rossetti, Andreas Bauer, Paolo CarIoni
Format:	Article
Language:	English
Published:	Public Library of Science (PLoS) 2015-01-01
Series:	PLoS ONE
Online Access:	https://doi.org/10.1371/journal.pone.0126833

Similar Items

Divergent Effects of the Nonselective Adenosine Receptor Antagonist Caffeine in Pre-Manifest and Motor-Manifest Huntington’s Disease
by: Jannis Achenbach, et al.
Published: (2022-05-01)

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study
by: Ruyin Cao, et al.
Published: (2018-10-01)

Caffeine and Selective Adenosine Receptor Antagonists as New Therapeutic Tools for the Motivational Symptoms of Depression
by: Laura López-Cruz, et al.
Published: (2018-06-01)

Structure-based optimization of coumarin hA3 adenosine receptor antagonists
by: Matos, M, et al.
Published: (2019)

Pathways and Mechanism of Caffeine Binding to Human Adenosine A2A Receptor
by: Hung N. Do, et al.
Published: (2021-04-01)

Overcoming high level adenosine-mediated immunosuppression by DZD2269, a potent and selective A2aR antagonist
by: Yu Bai, et al.
Published: (2022-10-01)

Dose and Time-Dependent Effects of Caffeine on Cardiovascular Changes Induced by Adenosine
by: Lucas Braga Albino, et al.
Published: (2023-01-01)

Effect of Adenosine Receptor Antagonists on Adenosine-Pretreated PC12 Cells Exposed to Paraquat
by: Liangcheng Shang, et al.
Published: (2022-04-01)

In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease
by: Boulaamane Yassir, et al.
Published: (2022-09-01)

Lifespan extension induced by caffeine in Caenorhabditis elegans is partially dependent on adenosine signaling
by: Jessika Cristina Bridi, et al.
Published: (2015-12-01)

KD-64-A new selective A2A adenosine receptor antagonist has anti-inflammatory activity but contrary to the non-selective antagonist-Caffeine does not reduce diet-induced obesity in mice.
by: Magdalena Kotańska, et al.
Published: (2020-01-01)

478 A novel antagonist monoclonal antibody against human adenosine receptor 2a (A2aR) for cancer immunotherapies
by: Yanyan Wang, et al.
Published: (2023-11-01)

Caffeine and a selective adenosine A<sub>2A </sub>receptor antagonist induce sensitization and cross-sensitization behavior associated with increased striatal dopamine in mice
by: Hsu Chih W, et al.
Published: (2010-01-01)

Blocking Adenosine/A2AR Pathway for Cancer Therapy
by: Jia LIU, et al.
Published: (2022-07-01)

Caffeine acts via A1 adenosine receptors to disrupt embryonic cardiac function.
by: Daniela L Buscariollo, et al.
Published: (2011-01-01)

Adenosine A<sub>2A</sub> receptor binding profile of two antagonists, ST1535 and KW6002: consideration on the presence of atypical adenosine A<sub>2A</sub> binding sites
by: Teresa Riccioni, et al.
Published: (2010-08-01)

A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models
by: Andreas Lundqvist, et al.
Published: (2022-05-01)

A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models
by: Tay, Apple Hui Min, et al.
Published: (2023)

Effects of Chronic Caffeine Consumption on Synaptic Function, Metabolism and Adenosine Modulation in Different Brain Areas
by: Cátia R. Lopes, et al.
Published: (2023-01-01)

Irreversible Antagonists for the Adenosine A<sub>2B</sub> Receptor
by: Ahmed Temirak, et al.
Published: (2022-06-01)

Caffeine for Prevention of Alzheimer’s Disease: Is the A<sub>2A</sub> Adenosine Receptor Its Target?
by: Stefania Merighi, et al.
Published: (2023-06-01)

Correction: A2B adenosine receptor antagonists rescue lymphocyte activity in adenosine-producing patient-derived cancer models
Published: (2024-01-01)

AR mRNA stability is increased with AR-antagonist resistance via 3′UTR variants
by: D A Dart, et al.
Published: (2019-12-01)

Caffeine inhibits Notum activity by binding at the catalytic pocket
by: Zhao, Y, et al.
Published: (2020)

Effect of Wood Hemicellulose Composition on Binding Interactions with Caffeine
by: Klára Kobetičová, et al.
Published: (2021-11-01)

Adenosine Receptor Antagonists to Combat Cancer and to Boost Anti-Cancer Chemotherapy and Immunotherapy
by: Rafael Franco, et al.
Published: (2021-10-01)

The seeming paradox of adenosine receptors as targets for the treatment of Alzheimer′s disease: agonists or antagonists?
by: Rubina Marzagalli, et al.
Published: (2015-01-01)

Striatal pre- and postsynaptic profile of adenosine A(2A) receptor antagonists.
by: Marco Orru, et al.
Published: (2011-01-01)

Caffeine Functions by Inhibiting Dorsal and Ventral Hippocampal Adenosine 2A Receptors to Modulate Memory and Anxiety, Respectively
by: Yawei Xu, et al.
Published: (2022-02-01)

Cryo-EM structures of adenosine receptor A3AR bound to selective agonists
by: Hongmin Cai, et al.
Published: (2024-04-01)

Predicting the binding type of compounds on the 4 adenosine receptors using proteochemometric models
by: van den Hoven Olaf, et al.
Published: (2010-05-01)

Untargeted Metabolomics Reveals the Potential Antidepressant Activity of a Novel Adenosine Receptor Antagonist
by: Arnold Petrus Smith, et al.
Published: (2022-03-01)

Tumor Immunotherapy Using A<sub>2A</sub> Adenosine Receptor Antagonists
by: Jinfeng Zhang, et al.
Published: (2020-09-01)

A<sub>3</sub> Adenosine Receptor Antagonists with Nucleoside Structures and Their Anticancer Activity
by: Andrea Spinaci, et al.
Published: (2022-01-01)

Predicting the affinity of A2A adenosine receptor antagonists using decision trees
by: Adonis Huici Corrales, et al.
Published: (2019-06-01)

Repurposing of a Nucleoside Scaffold from Adenosine Receptor Agonists to Opioid Receptor Antagonists
by: Dilip K. Tosh, et al.
Published: (2018-10-01)

The Role of the Adenosine System on Emotional and Cognitive Disturbances Induced by Ethanol Binge Drinking in the Immature Brain and the Beneficial Effects of Caffeine
by: Bruno Gonçalves Pinheiro, et al.
Published: (2022-10-01)

Modulation of Adenosine-Induced Responses in the Guinea-Pig Trachea During Long-Term Caffeine Treatment: Possible Role of Epithelium
by: László Brugós, et al.
Published: (2007-01-01)

Ethanol and Caffeine effects on social interaction and recognition in mice: Involvement of adenosine A2A and A1 receptors
by: Laura López-Cruz, et al.
Published: (2016-11-01)

Perinatal caffeine, acting on maternal adenosine A(1) receptors, causes long-lasting behavioral changes in mouse offspring.
by: Olga Björklund, et al.
Published: (2008-01-01)