Computational Study of the Binding Modes of Caffeine to the Adenosine A2A Receptor-Reference-Cited by-同舟云学术

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Computational Study of the Binding Modes of Caffeine to the Adenosine A2A Receptor

Published:2011-11-09 Issue:47 Volume:115 Page:13880-13890
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Liu Yuli¹,Burger Steven K.¹,Ayers Paul W.¹,Vöhringer-Martinez Esteban²

Affiliation:

1. Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, ON L8S4M1, Canada

2. Laboratorio de Química Teórica Computacional (QTC), Pontificia Universidad Católica de Chile, Casilla 306, Correo 22, Santiago, Chile

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2022049

Reference60 articles.

1. Caffeine as a psychomotor stimulant: mechanism of action

2. Adenosine A2A, but not A1, receptors mediate the arousal effect of caffeine

3. Aggressiveness, hypoalgesia and high blood pressure in mice lacking the adenosine A2a receptor

4. Antagonism of adenosine A2A receptors underlies the behavioural activating effect of caffeine and is associated with reduced expression of messenger RNA for NGFI-A and NGFI-B in caudate–putamen and nucleus accumbens

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1. Probing the binding interactions between perfluoroalkyl carboxylic acids and adenosine A2A receptors by spectroscopic techniques, molecular simulations and quantum chemistry;Journal of Molecular Liquids;2023-05

2. A DFT study of the interaction of aspirin, paracetamol and caffeine with one water molecule;Journal of Molecular Modeling;2022-09

3. X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists;Angewandte Chemie International Edition;2020-07-22

4. X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists;Angewandte Chemie;2020-07-22

5. Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions;PLOS Computational Biology;2020-04-16

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