Single Stabilizing Point Mutation Enables High‐Resolution Co‐Crystal Structures of the Adenosine A2A Receptor with Preladenant Conjugates
T Claff, TA Klapschinski… - Angewandte Chemie …, 2022 - Wiley Online Library
The G protein‐coupled adenosine A2A receptor (A2AAR) is an important new (potential)
drug target in immuno‐oncology, and for neurodegenerative diseases. Preladenant and its …
drug target in immuno‐oncology, and for neurodegenerative diseases. Preladenant and its …
Recent advances in the in-silico structure-based and ligand-based approaches for the design and discovery of agonists and antagonists of A2A adenosine receptor
N Agrawal, B Chandrasekaran… - Current Pharmaceutical …, 2019 - ingentaconnect.com
A2A receptor belongs to the family of GPCRs, which are the most abundant membrane
protein family. Studies in the last few decades have shown the therapeutic applications of …
protein family. Studies in the last few decades have shown the therapeutic applications of …
On the role of A2A and D2 receptors in control of cocaine and food-seeking behaviors in rats
K Wydra, A Suder, DO Borroto-Escuela, M Filip… - …, 2015 - Springer
Recent studies indicate that adenosine may influence dopamine neurotransmission via A 2A
receptors which antagonistically interact with D 2 receptor-mediated signaling in the brain …
receptors which antagonistically interact with D 2 receptor-mediated signaling in the brain …
Communication over the Network of Binary Switches Regulates the Activation of A2A Adenosine Receptor
Dynamics and functions of G-protein coupled receptors (GPCRs) are accurately regulated
by the type of ligands that bind to the orthosteric or allosteric binding sites. To glean the …
by the type of ligands that bind to the orthosteric or allosteric binding sites. To glean the …
Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine
L Hok, R Vianello - Journal of chemical information and modeling, 2023 - ACS Publications
We used a range of computational techniques to assess the effect of selective C–H
deuteration on the antagonist istradefylline affinity for the adenosine A2A receptor, which …
deuteration on the antagonist istradefylline affinity for the adenosine A2A receptor, which …
[HTML][HTML] Studying the collective motions of the adenosine A2A receptor as a result of ligand binding using principal component analysis
M Martínez-Archundia, J Correa-Basurto… - Journal of …, 2019 - Taylor & Francis
Adenosine receptors (ARs) belong to family A of GPCRs that are involved in many diseases,
including cerebral and cardiac ischemic diseases, immune and inflammatory disorders, etc …
including cerebral and cardiac ischemic diseases, immune and inflammatory disorders, etc …
Role of extracellular loops and membrane lipids for ligand recognition in the neuronal adenosine receptor type 2A: An enhanced sampling simulation study
Human G-protein coupled receptors (GPCRs) are important targets for pharmaceutical
intervention against neurological diseases. Here, we use molecular simulation to investigate …
intervention against neurological diseases. Here, we use molecular simulation to investigate …
Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological Conditions
R Cao, G Rossetti, A Bauer, P CarIoni - PLoS One, 2015 - journals.plos.org
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 …
protein structural determinants is not well understood. Here we present a comparative …
Use multiscale simulation to explore the effects of the homodimerizations between different conformation states on the activation and allosteric pathway for the μ …
X Zhang, Y Yuan, L Wang, Y Guo, M Li, C Li… - Physical Chemistry …, 2018 - pubs.rsc.org
Recently, oligomers of G-protein coupled receptors (GPCRs) have been an important topic
in the GPCR fields. However, knowledge about their structures and activation mechanisms …
in the GPCR fields. However, knowledge about their structures and activation mechanisms …
Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular …
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 …