Published in J Biomol Screen on October 23, 2012
Molecular mechanism of allosteric modulation at GPCRs: insight from a binding kinetics study at the human A1 adenosine receptor. Br J Pharmacol (2014) 0.77
A Four-Point Screening Method for Assessing Molecular Mechanism of Action (MMOA) Identifies Tideglusib as a Time-Dependent Inhibitor of Trypanosoma brucei GSK3β. PLoS Negl Trop Dis (2016) 0.76
Scintillation proximity assay (SPA) as a new approach to determine a ligand's kinetic profile. A case in point for the adenosine A1 receptor. Purinergic Signal (2015) 0.75
Mass spectrometry-based ligand binding assays on adenosine A1 and A2A receptors. Purinergic Signal (2015) 0.75
Structure-Activity Relationships of the Sustained Effects of Adenosine A2A Receptor Agonists Driven by Slow Dissociation Kinetics. Mol Pharmacol (2016) 0.75
New approaches for the reliable in vitro assessment of binding affinity based on high-resolution real-time data acquisition of radioligand-receptor binding kinetics. EJNMMI Res (2017) 0.75
A novel CCR2 antagonist inhibits atherogenesis in apoE deficient mice by achieving high receptor occupancy. Sci Rep (2017) 0.75
Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists. J Med Chem (2017) 0.75
The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science (2008) 11.74
Structural basis for allosteric regulation of GPCRs by sodium ions. Science (2012) 3.40
An efficient, versatile and scalable pattern growth approach to mine frequent patterns in unaligned protein sequences. Bioinformatics (2007) 1.92
Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem (2010) 1.88
2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists. J Med Chem (2008) 1.87
Multi-RELIEF: a method to recognize specificity determining residues from multiple sequence alignments using a Machine-Learning approach for feature weighting. Bioinformatics (2007) 1.51
Ligand binding and subtype selectivity of the human A(2A) adenosine receptor: identification and characterization of essential amino acid residues. J Biol Chem (2010) 1.37
G protein-coupled receptor heteromerization: a role in allosteric modulation of ligand binding. Mol Pharmacol (2011) 1.27
Internalization and desensitization of adenosine receptors. Purinergic Signal (2007) 1.21
New, non-adenosine, high-potency agonists for the human adenosine A2B receptor with an improved selectivity profile compared to the reference agonist N-ethylcarboxamidoadenosine. J Med Chem (2004) 1.12
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization. BMC Bioinformatics (2010) 1.11
Coupling of the human A1 adenosine receptor to different heterotrimeric G proteins: evidence for agonist-specific G protein activation. Br J Pharmacol (2004) 1.09
Adenosine A1 receptor binding activity of methoxy flavonoids from Orthosiphon stamineus. Planta Med (2009) 1.08
A two-entropies analysis to identify functional positions in the transmembrane region of class A G protein-coupled receptors. Proteins (2006) 1.07
Structure-activity relationships of inverse agonists for G-protein-coupled receptors. Med Res Rev (2005) 1.07
Functional efficacy of adenosine A₂A receptor agonists is positively correlated to their receptor residence time. Br J Pharmacol (2012) 1.07
Drug-target residence time--a case for G protein-coupled receptors. Med Res Rev (2014) 1.06
G protein-coupled receptors of the hypothalamic-pituitary-gonadal axis: a case for Gnrh, LH, FSH, and GPR54 receptor ligands. Med Res Rev (2008) 1.03
2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists. J Med Chem (2004) 1.02
Allosteric modulation of the adenosine family of receptors. Mini Rev Med Chem (2005) 1.02
Synthesis and biological evaluation of a new series of 2,3,5-substituted [1,2,4]-thiadiazoles as modulators of adenosine A1 receptors and their molecular mechanism of action. J Med Chem (2005) 1.02
Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data. PLoS Comput Biol (2013) 1.01
Functionally biased modulation of A(3) adenosine receptor agonist efficacy and potency by imidazoquinolinamine allosteric enhancers. Biochem Pharmacol (2011) 0.99
Nicotinic acid receptor subtypes and their ligands. Med Res Rev (2007) 0.98
Determination of different putative allosteric binding pockets at the lutropin receptor by using diverse drug-like low molecular weight ligands. Mol Cell Endocrinol (2012) 0.97
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space. J Chem Inf Model (2013) 0.97
Flexible modulation of agonist efficacy at the human A3 adenosine receptor by the imidazoquinoline allosteric enhancer LUF6000. BMC Pharmacol (2008) 0.97
Structure-based identification of OATP1B1/3 inhibitors. Mol Pharmacol (2013) 0.96
The role of a sodium ion binding site in the allosteric modulation of the A(2A) adenosine G protein-coupled receptor. Structure (2013) 0.95
Structure-activity relationships of new 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric enhancers of the A3 adenosine receptor. J Med Chem (2006) 0.94
Substructure mining using elaborate chemical representation. J Chem Inf Model (2006) 0.92
The crystallographic structure of the human adenosine A2A receptor in a high-affinity antagonist-bound state: implications for GPCR drug screening and design. Curr Opin Struct Biol (2010) 0.92
GPCR structure and activation: an essential role for the first extracellular loop in activating the adenosine A2B receptor. FASEB J (2010) 0.91
False positives in a reporter gene assay: identification and synthesis of substituted N-pyridin-2-ylbenzamides as competitive inhibitors of firefly luciferase. J Med Chem (2008) 0.91
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. J Med Chem (2012) 0.90
Hybrid ortho/allosteric ligands for the adenosine A(1) receptor. J Med Chem (2010) 0.90
Synthesis and evaluation of homo-bivalent GnRHR ligands. Bioorg Med Chem (2007) 0.90
[3H]Org 43553, the first low-molecular-weight agonistic and allosteric radioligand for the human luteinizing hormone receptor. Mol Pharmacol (2007) 0.89
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. J Cheminform (2013) 0.89
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development. PLoS One (2011) 0.88
Mutations inducing divergent shifts of constitutive activity reveal different modes of binding among catecholamine analogues to the beta(2)-adrenergic receptor. Br J Pharmacol (2002) 0.88
Structure-kinetic relationships--an overlooked parameter in hit-to-lead optimization: a case of cyclopentylamines as chemokine receptor 2 antagonists. J Med Chem (2013) 0.87
Substituted terphenyl compounds as the first class of low molecular weight allosteric inhibitors of the luteinizing hormone receptor. J Med Chem (2009) 0.87
Protection from myocardial ischemia/reperfusion injury by a positive allosteric modulator of the A₃ adenosine receptor. J Pharmacol Exp Ther (2011) 0.87
A series of 2,4-disubstituted quinolines as a new class of allosteric enhancers of the adenosine A3 receptor. J Med Chem (2009) 0.86
Structure-affinity relationships of adenosine A2B receptor ligands. Med Res Rev (2006) 0.86
Novel 2- and 4-substituted 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric modulators of the A3 adenosine receptor. J Med Chem (2009) 0.85
Functional role of adenosine receptor subtypes in the regulation of blood-brain barrier permeability: possible implications for the design of synthetic adenosine derivatives. Eur J Pharm Sci (2003) 0.84
Fragment screening of GPCRs using biophysical methods: identification of ligands of the adenosine A(2A) receptor with novel biological activity. ACS Chem Biol (2012) 0.84
Allosteric modulation of purine and pyrimidine receptors. Adv Pharmacol (2011) 0.84
Synthesis and biological evaluation of 2-aminothiazoles and their amide derivatives on human adenosine receptors. Lack of effect of 2-aminothiazoles as allosteric enhancers. Bioorg Med Chem (2005) 0.84
The endocannabinoid 2-arachidonylglycerol is a negative allosteric modulator of the human A3 adenosine receptor. Biochem Pharmacol (2009) 0.84
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets. J Cheminform (2013) 0.84
Substructure-based virtual screening for adenosine A2A receptor ligands. ChemMedChem (2011) 0.84
Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases. ChemMedChem (2010) 0.83
Agonists for the adenosine A1 receptor with tunable residence time. A Case for nonribose 4-amino-6-aryl-5-cyano-2-thiopyrimidines. J Med Chem (2014) 0.83
2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists. J Med Chem (2006) 0.82
Caffeine increases light responsiveness of the mouse circadian pacemaker. Eur J Neurosci (2014) 0.82
A series of ligands displaying a remarkable agonistic-antagonistic profile at the adenosine A1 receptor. J Med Chem (2005) 0.82
Multiple binding sites for small-molecule antagonists at the CC chemokine receptor 2. Mol Pharmacol (2013) 0.82
Label-free impedance responses of endogenous and synthetic chemokine receptor CXCR3 agonists correlate with Gi-protein pathway activation. Biochem Biophys Res Commun (2012) 0.81
Amiloride derivatives and a nonpeptidic antagonist bind at two distinct allosteric sites in the human gonadotropin-releasing hormone receptor. Mol Pharmacol (2008) 0.81
Mining protein dynamics from sets of crystal structures using "consensus structures". Protein Sci (2010) 0.81
A new generation of adenosine receptor antagonists: from di- to trisubstituted aminopyrimidines. Bioorg Med Chem (2008) 0.81
Understanding of molecular substructures that contribute to hERG K+ channel blockade: synthesis and biological evaluation of E-4031 analogues. ChemMedChem (2011) 0.80
Allosteric modulation, thermodynamics and binding to wild-type and mutant (T277A) adenosine A1 receptors of LUF5831, a novel nonadenosine-like agonist. Br J Pharmacol (2006) 0.80
Synthesis and biological evaluation of disubstituted N6-cyclopentyladenine analogues: the search for a neutral antagonist with high affinity for the adenosine A1 receptor. Bioorg Med Chem (2004) 0.80
Exploring chemical substructures essential for HERG k(+) channel blockade by synthesis and biological evaluation of dofetilide analogues. ChemMedChem (2009) 0.79
Discovery of selective luteinizing hormone receptor agonists using the bivalent ligand method. ChemMedChem (2009) 0.79