Comparison of the Human A2A Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations

ChemMedChem
Giuseppe DeganuttiStefano Moro

Abstract

Adenosine deaminase converts adenosine into inosine. In contrast to adenosine, relatively little attention has been paid to the physiological roles of inosine. Nevertheless, recent studies have demonstrated that inosine has neuroprotective, cardioprotective, immunomodulatory, and antidepressive effects. Inosine was recently shown to be a less potent agonist than adenosine at the A2A adenosine receptor. To better depict the differences in the mechanisms of receptor recognition between adenosine and inosine, we carried out supervised molecular dynamics (SuMD) simulations, and the results are analyzed herein.

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Citations

Jan 22, 2019·Journal of Biomolecular Structure & Dynamics·Marlet Martínez-ArchundiaJorge L Rosas-Trigueros
Mar 6, 2019·Current Pharmaceutical Design·Mohammed Nooraldeen Mahmod Al-Qattan, Mohd Nizam Mordi
Mar 6, 2019·Current Pharmaceutical Design·Nizar A Al-Shar'i, Qosay A Al-Balas
Mar 20, 2019·Future Medicinal Chemistry·Giuseppe DeganuttiChristopher A Reynolds
Jun 17, 2020·Neuroscience Bulletin·Bruno G Frenguelli, Nicholas Dale
Apr 20, 2018·Molecular Informatics·Giuseppe DeganuttiStefano Moro
Apr 23, 2018·ACS Pharmacology & Translational Science·Rebekah L BowerDebbie L Hay
Mar 4, 2020·Journal of Chemical Information and Modeling·Giuseppe DeganuttiChristopher A Reynolds
Oct 1, 2021·FASEB Journal : Official Publication of the Federation of American Societies for Experimental Biology·Marianna LovásziGyörgy Haskó

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