Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. - Test2 - elhamkhani - TriplyDB

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

http://www.wikidata.org/entity/Q30435017

about

Structure of the human histamine H1 receptor complex with doxepin Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor Structure-based discovery of opioid analgesics with reduced side effects.Diversity and modularity of G protein-coupled receptor structures New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors Recent developments in adenosine receptor ligands and their potential as novel drugs Function-specific virtual screening for GPCR ligands using a combined scoring method Discovery of novel GPVI receptor antagonists by structure-based repurposing Structural and energetic effects of A2A adenosine receptor mutations on agonist and antagonist binding Discovery and cardioprotective effects of the first non-Peptide agonists of the G protein-coupled prokineticin receptor-1 In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor The role of experimental and computational structural approaches in 7TM drug discovery.Compound activity prediction using models of binding pockets or ligand properties in 3D.Docking Screens for Novel Ligands Conferring New Biology.Structure-function of the G protein-coupled receptor superfamily.Purine (N)-Methanocarba Nucleoside Derivatives Lacking an Exocyclic Amine as Selective A3 Adenosine Receptor Agonists.Ligand discovery from a dopamine D3 receptor homology model and crystal structure Structure-based discovery of A2A adenosine receptor ligands.Structural determinants of PERK inhibitor potency and selectivity Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor Pharmacochemistry of the platelet purinergic receptors.Prediction of ligand binding using an approach designed to accommodate diversity in protein-ligand interactions Substructure-based virtual screening for adenosine A2A receptor ligands.Analysis of structure-based virtual screening studies and characterization of identified active compounds.Structure based prediction of subtype-selectivity for adenosine receptor antagonists ALiBERO: evolving a team of complementary pocket conformations rather than a single leader.Significance estimation for sequence-based chemical similarity searching (PhAST) and application to AuroraA kinase inhibitors.Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists GPCR ligand-dendrimer (GLiDe) conjugates: future smart drugs?Structural Analysis of Chemokine Receptor-Ligand Interactions.Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor Structure-based approaches to ligands for G-protein-coupled adenosine and P2Y receptors, from small molecules to nanoconjugates.Fragment-based lead discovery on G-protein-coupled receptors.International Union of Basic and Clinical Pharmacology. LXXXI. Nomenclature and classification of adenosine receptors--an update Molecular probes for the A2A adenosine receptor based on a pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine scaffold Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors.Computational studies to predict or explain G protein coupled receptor polypharmacology In silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor.An efficient multistep ligand-based virtual screening approach for GPR40 agonists.

P2860

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P2860

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

http://www.wikidata.org/entity/Q30435017

description

2010 nî lūn-bûn

@nan

2010 թուականի Փետրուարին հրատարակուած գիտական յօդուած

@hyw

2010 թվականի փետրվարին հրատարակված գիտական հոդված

@hy

2010年の論文

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2010年論文

@yue

2010年論文

@zh-hant

2010年論文

@zh-hk

2010年論文

@zh-mo

2010年論文

@zh-tw

2010年论文

@wuu

name

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@ast

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@en

type

label

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@ast

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@en

prefLabel

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@ast

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@en

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Journal of Medicinal Chemistry

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Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

@en

P2093

J Robert Lane

http://www.w3.org/2001/XMLSchema#string

Judy Lin

http://www.w3.org/2001/XMLSchema#string

Mark Yeager

http://www.w3.org/2001/XMLSchema#string

Raymond C Stevens

http://www.w3.org/2001/XMLSchema#string

P2860

Adenosine receptors and the heart: role in regulation of coronary blood flow and cardiac electrophysiology

Adenosine receptors as therapeutic targets

The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor

Structure of a beta1-adrenergic G-protein-coupled receptor.

GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function

Highlights on the development of A(2A) adenosine receptor agonists and antagonists

A2A adenosine receptor and its modulators: overview on a druggable GPCR and on structure-activity relationship analysis and binding requirements of agonists and antagonists

Ligand docking and structure-based virtual screening in drug discovery

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1799-1809

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10.1021/JM901647P

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4

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53

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Vsevolod Katritch

Adriaan P IJzerman

Veli-Pekka Jaakola

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2010-02-01T00:00:00Z

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41121014

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20095623

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2826142

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