John Daly Lecture: Structure-guided Drug Design for Adenosine and P2Y Receptors.

PubWeight™: 0.76‹?›

🔗 View Article (PMC 4423517)

Published in Comput Struct Biotechnol J on October 16, 2014

Authors

Kenneth A Jacobson1, Zhan-Guo Gao1, Silvia Paoletta1, Evgeny Kiselev1, Saibal Chakraborty1, P Suresh Jayasekara1, Ramachandran Balasubramanian1, Dilip K Tosh1

Author Affiliations

1: Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892 USA.

Articles cited by this

Crystal structure of the β2 adrenergic receptor-Gs protein complex. Nature (2011) 13.92

The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science (2008) 11.74

Structure of an agonist-bound human A2A adenosine receptor. Science (2011) 6.21

Crystal structure of the ATP-gated P2X(4) ion channel in the closed state. Nature (2009) 4.18

Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine. Structure (2011) 2.84

High-resolution crystal structure of human protease-activated receptor 1. Nature (2012) 2.44

Cellular function and molecular structure of ecto-nucleotidases. Purinergic Signal (2012) 2.13

Nucleosides with a twist. Can fixed forms of sugar ring pucker influence biological activity in nucleosides and oligonucleotides? J Med Chem (1996) 2.08

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem (2010) 1.88

N6-Substituted adenosine derivatives: selectivity, efficacy, and species differences at A3 adenosine receptors. Biochem Pharmacol (2003) 1.82

Methanocarba modification of uracil and adenine nucleotides: high potency of Northern ring conformation at P2Y1, P2Y2, P2Y4, and P2Y11 but not P2Y6 receptors. J Med Chem (2002) 1.77

Structure-based discovery of A2A adenosine receptor ligands. J Med Chem (2010) 1.71

Methanocarba analogues of purine nucleosides as potent and selective adenosine receptor agonists. J Med Chem (2000) 1.65

Structure of the human P2Y12 receptor in complex with an antithrombotic drug. Nature (2014) 1.60

Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design. J Med Chem (2012) 1.60

Pharmacological and therapeutic effects of A3 adenosine receptor agonists. Drug Discov Today (2011) 1.44

Agonist-bound structure of the human P2Y12 receptor. Nature (2014) 1.36

Exploring distal regions of the A3 adenosine receptor binding site: sterically constrained N6-(2-phenylethyl)adenosine derivatives as potent ligands. Bioorg Med Chem (2004) 1.34

Adenosine receptors and cancer. Biochim Biophys Acta (2010) 1.23

Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. J Med Chem (2012) 1.23

Quantification of Gi-mediated inhibition of adenylyl cyclase activity reveals that UDP is a potent agonist of the human P2Y14 receptor. Mol Pharmacol (2009) 1.20

Controlling murine and rat chronic pain through A3 adenosine receptor activation. FASEB J (2012) 1.20

The cross-species A3 adenosine-receptor antagonist MRS 1292 inhibits adenosine-triggered human nonpigmented ciliary epithelial cell fluid release and reduces mouse intraocular pressure. Curr Eye Res (2005) 1.17

8-Aryl-and 8-cycloalkyl-1,3-dipropylxanthines: further potent and selective antagonists for A1-adenosine receptors. J Med Chem (1988) 1.12

The Gq/G11-mediated signaling pathway is critical for autocrine potentiation of insulin secretion in mice. J Clin Invest (2010) 1.10

Hydration Site Thermodynamics Explain SARs for Triazolylpurines Analogues Binding to the A2A Receptor. ACS Med Chem Lett (2010) 1.06

Purinergic receptor type 6 contributes to airway inflammation and remodeling in experimental allergic airway inflammation. Am J Respir Crit Care Med (2011) 1.05

A2A adenosine receptor and its modulators: overview on a druggable GPCR and on structure-activity relationship analysis and binding requirements of agonists and antagonists. Curr Pharm Des (2008) 1.04

P2Y(12) receptors in platelets and other hematopoietic and non-hematopoietic cells. Purinergic Signal (2012) 1.00

A selective high-affinity antagonist of the P2Y14 receptor inhibits UDP-glucose-stimulated chemotaxis of human neutrophils. Mol Pharmacol (2013) 1.00

P2Y1 receptor antagonists as novel antithrombotic agents. Bioorg Med Chem Lett (2008) 0.99

Functionally biased modulation of A(3) adenosine receptor agonist efficacy and potency by imidazoquinolinamine allosteric enhancers. Biochem Pharmacol (2011) 0.99

Spinal neuroimmune activation is independent of T-cell infiltration and attenuated by A3 adenosine receptor agonists in a model of oxaliplatin-induced peripheral neuropathy. Brain Behav Immun (2014) 0.97

Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain. J Med Chem (2013) 0.96

N-substituted adenosines as novel neuroprotective A(1) agonists with diminished hypotensive effects. J Med Chem (1999) 0.95

Synthesis and characterization of [76Br]-labeled high-affinity A3 adenosine receptor ligands for positron emission tomography. Nucl Med Biol (2009) 0.94

GPCR structures in drug design, emerging opportunities with new structures. Bioorg Med Chem Lett (2014) 0.93

Introduction and perspective, historical note. Front Cell Neurosci (2013) 0.93

Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening. J Med Chem (2012) 0.93

Structural sweet spot for A1 adenosine receptor activation by truncated (N)-methanocarba nucleosides: receptor docking and potent anticonvulsant activity. J Med Chem (2012) 0.92

The identification of 4,7-disubstituted naphthoic acid derivatives as UDP-competitive antagonists of P2Y14. Bioorg Med Chem Lett (2011) 0.91

N6,9-disubstituted adenines: potent, selective antagonists at the A1 adenosine receptor. J Med Chem (1991) 0.91

Potent P2Y6 receptor mediated contractions in human cerebral arteries. BMC Pharmacol (2003) 0.91

Dinucleoside polyphosphates: strong endogenous agonists of the purinergic system. Br J Pharmacol (2009) 0.90

Uridine diphosphate (UDP) stimulates insulin secretion by activation of P2Y6 receptors. Biochem Biophys Res Commun (2008) 0.90

Structure-activity relationships for 2-substituted adenosines at A1 and A2 adenosine receptors. Pharmacology (1993) 0.90

Structural probing of off-target G protein-coupled receptor activities within a series of adenosine/adenine congeners. PLoS One (2014) 0.90

New substituted 9-alkylpurines as adenosine receptor ligands. Bioorg Med Chem (1998) 0.88

9-Ethyladenine derivatives as adenosine receptor antagonists: 2- and 8-substitution results in distinct selectivities. Naunyn Schmiedebergs Arch Pharmacol (2003) 0.88

Adenosine Receptors: The Contributions by John W. Daly. Heterocycles (2015) 0.87

The P2Y(6) receptor stimulates bone resorption by osteoclasts. Endocrinology (2011) 0.86

Adenosine A2A receptor agonists inhibit lipopolysaccharide-induced production of tumor necrosis factor-alpha by equine monocytes. Vet Immunol Immunopathol (2007) 0.86

Exploring a 2-naphthoic acid template for the structure-based design of P2Y14 receptor antagonist molecular probes. ACS Chem Biol (2014) 0.86

The role of P2Y(14) and other P2Y receptors in degranulation of human LAD2 mast cells. Purinergic Signal (2012) 0.86

4-Alkyloxyimino derivatives of uridine-5'-triphosphate: distal modification of potent agonists as a strategy for molecular probes of P2Y2, P2Y4, and P2Y6 receptors. J Med Chem (2014) 0.86

Identification of determinants required for agonistic and inverse agonistic ligand properties at the ADP receptor P2Y12. Mol Pharmacol (2012) 0.85

4-Alkyloxyimino-cytosine nucleotides: tethering approaches to molecular probes for the P2Y6 receptor. Medchemcomm (2013) 0.85

Medicinal chemistry of A₃ adenosine receptor modulators: pharmacological activities and therapeutic implications. J Med Chem (2012) 0.84

Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists. J Med Chem (2013) 0.84

N6-Cycloalkyl- and N6-bicycloalkyl-C5'(C2')-modified adenosine derivatives as high-affinity and selective agonists at the human A1 adenosine receptor with antinociceptive effects in mice. J Med Chem (2009) 0.84

Molecular Structure of P2Y Receptors: Mutagenesis, Modeling, and Chemical Probes. Wiley Interdiscip Rev Membr Transp Signal (2012) 0.84

Synthesis, structure-property relationships and pharmacokinetic evaluation of ethyl 6-aminonicotinate sulfonylureas as antagonists of the P2Y₁₂ receptor. Eur J Med Chem (2013) 0.83

Methanocarba ring as a ribose modification in ligands of G protein-coupled purine and pyrimidine receptors: synthetic approaches. Medchemcomm (2013) 0.82

Characterization by flow cytometry of fluorescent, selective agonist probes of the A(3) adenosine receptor. Biochem Pharmacol (2013) 0.82

Targeting the purinome. Methods Mol Biol (2009) 0.79

AMP-activated protein kinase as regulator of P2Y(6) receptor-induced insulin secretion in mouse pancreatic β-cells. Biochem Pharmacol (2013) 0.79

5-OMe-uridine-5'-O-(α-boranodiphosphate), a novel nucleotide derivative highly active at the human P2Y(6) receptor protects against death-receptor mediated glial apoptosis. Neurosci Lett (2014) 0.78

Thio-Cl-IB-MECA, a novel A₃ adenosine receptor agonist, suppresses angiogenesis by regulating PI3K/AKT/mTOR and ERK signaling in endothelial cells. Biochem Biophys Res Commun (2013) 0.78

Revisiting a receptor-based pharmacophore hypothesis for human A(2A) adenosine receptor antagonists. J Chem Inf Model (2013) 0.77

Structure-Based Design of Reactive Nucleosides for Site-Specific Modification of the A2A Adenosine Receptor. ACS Med Chem Lett (2014) 0.76

Preface: special issue on medicinal chemistry of purines. Purinergic Signal (2009) 0.75