[HTML][HTML] Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised …
One of the most intriguing findings highlighted from G protein-coupled receptor (GPCR)
crystallography is the presence, in many members of class A, of a partially hydrated sodium …
crystallography is the presence, in many members of class A, of a partially hydrated sodium …
Exploring the recognition pathway at the human A 2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations
Adenosine is a naturally occurring purine nucleoside that exerts a variety of important
biological functions through the activation of four G protein-coupled receptor (GPCR) …
biological functions through the activation of four G protein-coupled receptor (GPCR) …
Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors
The crystal structure of the human A2A adenosine receptor, a member of the G protein-
coupled receptor (GPCR) family, is used as a starting point for the structural characterization …
coupled receptor (GPCR) family, is used as a starting point for the structural characterization …
Could adenosine recognize its receptors with a stoichiometry other than 1: 1?
G Deganutti, V Salmaso, S Moro - Molecular Informatics, 2018 - Wiley Online Library
One of the most largely accepted concepts in the G protein‐coupled receptors (GPCRs) field
is that the ligand, either agonist or antagonist, recognizes its receptor with a stoichiometry of …
is that the ligand, either agonist or antagonist, recognizes its receptor with a stoichiometry of …
Ligand-Dependent Sodium Ion Dynamics within the A2A Adenosine Receptor: A Molecular Dynamics Study
Sodium ions have long been known to reduce the binding of agonists in many class-A
GPCRs while having little effect on antagonist binding. Here, using long-time scale classical …
GPCRs while having little effect on antagonist binding. Here, using long-time scale classical …
[HTML][HTML] New insights into key determinants for adenosine 1 receptor antagonists selectivity using supervised molecular dynamics simulations
Adenosine receptors (ARs), like many otherGprotein-coupledreceptors (GPCRs), are targets
of primary interest indrug design. However, one of the main limits for the development of …
of primary interest indrug design. However, one of the main limits for the development of …
Molecular dynamics simulation at high sodium chloride concentration: Toward the inactive conformation of the human adenosine A2A receptor
The recently solved crystal structure of the human adenosine A2A receptor (hA2AR) shows
the characteristics of a partially activated state. Experimental data suggests that high sodium …
the characteristics of a partially activated state. Experimental data suggests that high sodium …
Molecular dynamics simulations of adenosine receptors: Advances, applications and trends
NA Al-Shar'i, QA Al-Balas - Current pharmaceutical design, 2019 - ingentaconnect.com
Adenosine receptors (ARs) are transmembrane proteins that belong to the G protein-
coupled receptors (GPCRs) superfamily and mediate the biological functions of adenosine …
coupled receptors (GPCRs) superfamily and mediate the biological functions of adenosine …
[HTML][HTML] Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions
A Bruzzese, JAR Dalton, J Giraldo - PLoS computational biology, 2020 - journals.plos.org
The activation process of G protein-coupled receptors (GPCRs) has been extensively
studied, both experimentally and computationally. In particular, Molecular Dynamics (MD) …
studied, both experimentally and computationally. In particular, Molecular Dynamics (MD) …
[HTML][HTML] Ribose and non-ribose A2A adenosine receptor agonists: do they share the same receptor recognition mechanism?
Adenosine receptors have been a promising class of targets for the development of new
therapies for several diseases. In recent years, a renewed interest in this field has risen …
therapies for several diseases. In recent years, a renewed interest in this field has risen …