Comparison of the Human A2AAdenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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Comparison of the Human A2AAdenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations

Published:2017-06-30 Issue:16 Volume:12 Page:1319-1326
ISSN:1860-7179
Container-title:ChemMedChem
language:en
Short-container-title:ChemMedChem

Author:

Deganutti Giuseppe¹,Welihinda Ajith²,Moro Stefano¹^ORCID

Affiliation:

1. Molecular Modeling Section (MMS); Dipartimento di Scienze del Farmaco; University of Padova; Via Marzolo 5 35131 Padova Italy

2. Molecular Medicine Research Institute; 428 Oakmead Parkway Sunnyvale CA 94085 USA

Publisher

Wiley

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics,Molecular Medicine,Drug Discovery,Biochemistry,Pharmacology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/cmdc.201700200/fullpdf

Reference58 articles.

1. Increases in Cerebral Cortical Perfusate Adenosine and Inosine Concentrations during Hypoxia and Ischemia

2. Turnover of adenosine in plasma of human and dog blood

3. Pericardial concentrations of adenosine, inosine and hypoxanthine in an experimental canine model of spastic ischaemia

4. Inosine reduces inflammation and improves survival in a murine model of colitis

5. Inosine Reduces Systemic Inflammation and Improves Survival in Septic Shock Induced by Cecal Ligation and Puncture

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1. In Silico Insights Toward the Exploration of Adenosine Receptors Ligand Recognition;Topics in Medicinal Chemistry;2023

2. The full activation mechanism of the adenosine A ₁ receptor revealed by GaMD and Su-GaMD simulations;Proceedings of the National Academy of Sciences;2022-10-10

3. Importance of Structure and Dynamics in the Rational Drug Design of G Protein‐Coupled Receptor ( GPCR ) Modulators;GPCRs as Therapeutic Targets;2022-09-16

4. Selective activation of Gαob by an adenosine A1 receptor agonist elicits analgesia without cardiorespiratory depression;Nature Communications;2022-07-18

5. Molecular Simulations and Drug Discovery of Adenosine Receptors;Molecules;2022-03-22

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