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287 results for “adenosine”
Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism
<p>Dataset of the paper "Minute-timescale free-energy calculations reveal a pseudo-active state in the adenosine A2A receptor activation mechanism" accepted for publication on ACS Chem journal.</p>
Adenosine deficiency facilitates CA1 synaptic hyperexcitability in the presymptomatic phase of a mouse KI model of Alzheimer disease.
<p><span>All data points, statistical models and raw western blot images from "Adenosine deficiency facilitates CA1 synaptic hyperexcitability in the presymptomatic phase of a mouse KI model of Alzheimer disease" are available. </span></p>
Synthesis of Tuneable Gold Nanostars: the Role of Adenosine Monophosphate
<p>The seed-mediated growth of gold nanostructures is known to be strongly dependent on the gold seed nanocrystal structure but also in the presence of different additives that may influence the morphology, and therefore the crystalline structure of the final nanoparticle. Among the different additives or capping ligands, biomolecules are an interesting family due to their potential biomedical applications such as drug delivery, bioimaging, biosensing, phototherapy, and antimicrobial activities. Here, we develop a seed-mediated strategy for synthesizing uniform Au nanostars with tuneable optical properties that involve adenosine monophosphate (AMP) as capping ligand. The experimental data reveal the key role of AMP not just providing colloidal stability and directing the reduction of the gold precursor via complexation but also mediating the anisotropic growth of the Au seeds via its selective adsorption on the different crystalline facets of Au nanoparticles. These observations agree with theoretical simulations carried out using molecular dynamics and density functional theory (DFT) calculations. Interestingly, the obtained Au nanostars showed high thermal stability as well as colloidal stability in polar organic solvents, which allowed their direct silica coating via the Stöber method. Importantly, we also explored the mimic enzymatic activity of the resulting gold nanostars and observed a superior catalytic activity compared with other gold nanoparticles reported in the literature.</p>
Cortical astrocyte histamine-1-receptors regulate intracellular calcium and extracellular adenosine dynamics across sleep and wake
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Crystal structure of the tandem kinase & triphosphate tunnel metalloenzyme domain module of the TTM1 protein from Arabidoposis thaliana in complex with an adenosine nucleotide analog.
<p>bzip2ed tar archive containing the diffraction images (Pilatus 2M-F detector, SLS beamline PXIII, collected on 19.12.2016) and the associated data processing files (xds) </p>
Revisiting the allosteric regulation of sodium cation on the binding of adenosine at the human A2A adenosine receptors: insights from Supervised Molecular Dynamics (SuMD) simulations.
<p><strong>SuMD trajectories Videos </strong></p> <p> </p> <p><strong>Video 1: </strong>Sodium binding pathway on the antagonist-bound state of A<sub>2A</sub>R.</p> <p>The video is composed of four synchronized and animated panels that depict the molecular trajectory obtained by the SuMD simulation considering different aspects of the simulation. The time evolution is reported in a nanosecond. In the first panel (upper-left), the molecular representation of the macromolecular system is shown. The A<sub>2A</sub>R antagonist-bound state backbone is represented by the ribbon style (cyan colour) and the residues within 4 Å of sodium ion during the entire simulation are dynamically shown. Na<sup>+</sup> is rendered showing its VdW volume in yellow. In the second panel (upper-right), the dynamic distance of sodium center of mass (CM) from the A<sub>2A</sub>R allosteric binding site during the trajectory is reported. In the third panel (lower-left), the MMGBSA energy profile is reported. The animated red circle highlights the value of the corresponding frame. The trend is depicted by a continuous black line obtained by smoothing the raw data (grey circles) using a Bezier curve procedure. In the fourth panel (lower-right) cumulative electrostatic interactions are reported for the 15 A<sub>2A</sub>R residues most contacted by sodium during the whole simulation.</p> <p> </p> <p><strong>Video 2: </strong>Adenosine different binding pathways collection on the two relevant states of A<sub>2A</sub>R</p> <p>The video is composed of two panels, which summarizes the recognition process of the adenosine agonist, sampled by means of the supervised molecular dynamics methodology, in the two pharmacologically relevant states of the receptor. In particular, on the right side are shown simultaneously all ten replicas collected starting from the agonist-bound conformation of the A<sub>2A</sub>R (pink ribbon). The meta-binding site located at the level of the ECL2 and the orthosteric binding site were highlighted. On the left side are represented simultaneously all ten replicas collected starting from the antagonist-bound conformation of the A<sub>2A</sub>R (cyan ribbon). The meta-binding site located at the level of the ECL2 and the extracellular receptor vestibule were highlighted.</p> <p> </p> <p><strong>Video 3: </strong>Adenosine binding pathway on the agonist-bound state of A<sub>2A</sub>R.</p> <p>The video is composed of four synchronized and animated panels that depict the molecular trajectory obtained by the SuMD simulation considering different aspects of the simulation. The time evolution is reported in a nanosecond. In the first panel (upper-left), the molecular representation of the macromolecular system is shown. The A<sub>2A</sub>R agonist-bound state backbone is represented by the ribbon style (pink colour) and the residues within 4 Å of sodium ion during the entire simulation are dynamically shown. Adenosine molecule is rendered by orange carbon atoms and by a transparent surface. In the second panel (upper-right), the dynamic distance of agonist center of mass (CM) from the A<sub>2A</sub>R allosteric binding site during the trajectory is reported. In the third panel (lower-left), the MMGBSA energy profile is reported. The animated red circle highlights the value of the corresponding frame. The trend is depicted by a continuous black line obtained by smoothing the raw data (grey circles) using a Bezier curve procedure. In the fourth panel (lower-right) cumulative electrostatic interactions are reported for the 15 A<sub>2A</sub>R residues most contacted by adenosine during the whole simulation.</p>
Temperature effects on the internal conversion of excited adenine and adenosine
<p>This work aims to elucidate the dependence of the excited-state lifetime of adenine and adenosine on the temperature. So far, it has been experimentally shown that while adenine’s lifetime is unaffected by temperature, adenosine’s lifetime strongly depends on it. However, the non-Arrhenius temperature dependence has posed a challenge in explaining this phenomenon. We used surface hopping to simulate the dynamics of adenine and adenosine in the gas phase at 0 and 400 K. Temperature effects were incorporated in the initial conditions via Wigner sampling with thermal corrections. Our results confirm that adenine’s excited-state lifetime does not depend on temperature, while adenosine’s lifetime does. Adenosine’s dependency is due to intramolecular vibrational energy transfer from adenine to the ribose group. At 0 K, this transfer reduced the mean kinetic energy of adenine’s moiety so much that internal conversion is inhibited, and the lifetime elongated by a 2.3 factor compared to that at 400 K. The modeling also allowed definitively discarding the influence of viscosity, an alternative previously proposed explanation. </p>
Adenosine Effect on Persistent Pulmonary Vein Isolation Line Evaluation (APPLE Trial)
ClinicalTrials.gov study NCT01932112. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Dexmedetomidine and Adenosine: Therapeutic Use for SVT
ClinicalTrials.gov study NCT01495481. IPD Sharing: NO. Countries: 1. Publications: 2.
Lentiviral (LV) Gene Therapy for Adenosine Deaminase (ADA) Deficiency
ClinicalTrials.gov study NCT01380990. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Adenosine Contrast CorrELations in Evaluating RevAscularizaTION
ClinicalTrials.gov study NCT03557385. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Treatment With Adenosine Diphosphate (ADP) Receptor Inhibitors: Longitudinal Assessment of Treatment Patterns and Events After Acute Coronary Syndrome
ClinicalTrials.gov study NCT01088503. IPD Sharing: Not stated. Countries: 2. Publications: 19.
Comparison of Intravenous Adenosine Infusion With Regadenoson Bolus for Inducing Maximal Coronary Hyperemia
ClinicalTrials.gov study NCT01161121. IPD Sharing: NO. Countries: 1. Publications: 5.
Adenosine 2A Agonist Lexiscan in Children and Adults With Sickle Cell Disease
ClinicalTrials.gov study NCT01085201. IPD Sharing: Not stated. Countries: 1. Publications: 1.
A Trial to Compare American Heart Association (AHA) and Simple (SIM)Method to Give Adenosine to Treat Supra-ventricular Tachycardia (SVT)
ClinicalTrials.gov study NCT04392362. IPD Sharing: NO. Countries: 1. Publications: 8.
Data from: Extracellular adenosine deamination primes tip organizer development in <em>Dictyostelium</em>
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Data from: Inactivation of adenosine receptor 2A suppresses endothelial-to-mesenchymal transition and inhibits subretinal fibrosis in mice
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Data from: A monomer-dimer switch modulates the activity of plant adenosine kinase
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Activation of astrocytes in hippocampus decreases fear memory through adenosine A1 receptors
<p>Astrocytes respond to and regulate neuronal activity, yet their role in mammalian behavior remains incompletely understood. Especially unclear is whether, and if so how, astrocyte activity regulates contextual fear memory, the dysregulation of which leads to pathological fear-related disorders. We generated <i>GFAP-ChR2-EYFP</i> rats to allow the specific activation of astrocytes in vivo by optogenetics. We found that after memory acquisition within a temporal window, astrocyte activation disrupted memory consolidation and persistently decreased contextual but not cued fear memory accompanied by reduced fear-related anxiety behavior. In vivo microdialysis experiments showed astrocyte photoactivation increased extracellular ATP and adenosine concentrations. Intracerebral blockade of adenosine A<sub>1</sub> receptors (A<sub>1</sub>Rs) reversed the attenuation of fear memory. Furthermore, intracerebral or intraperitoneal injection of A<sub>1</sub>R agonist mimicked the effects of astrocyte activation. Therefore, our findings provide a deeper understanding of the astrocyte-mediated regulation of fear memory, and suggest a new and important therapeutic strategy against pathological fear-related disorders.</p>
Supplemental files associated with the the manuscript "Genetic screening and metabolomics identify glial adenosine metabolism as a therapeutic target in Parkinson's disease"
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