Literature DB >> 14703805

Demystifying the three dimensional structure of G protein-coupled receptors (GPCRs) with the aid of molecular modeling.

Stefano Moro1, Francesca Deflorian, Giampiero Spalluto, Giorgia Pastorin, Barbara Cacciari, Soo-Kyung Kim, Kenneth A Jacobson.   

Abstract

We review our recent work on adenosine receptors, a family of GPCRs; focusing our attention on A3 adenosine receptor, we have demonstrated that the reciprocal integration of different theoretical and experimental disciplines can be very useful for the successful protein-based design of new, potent and selective receptor ligands.

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Year:  2003        PMID： 14703805      PMCID： PMC9388203          DOI： 10.1039/b303439a

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.065


  38 in total

Review 1.  Minireview: Insights into G protein-coupled receptor function using molecular models.

Authors:  M C Gershengorn; R Osman
Journal:  Endocrinology       Date:  2001-01       Impact factor: 4.736

2.  Crystal structure of rhodopsin: A G protein-coupled receptor.

Authors:  K Palczewski; T Kumasaka; T Hori; C A Behnke; H Motoshima; B A Fox; I Le Trong; D C Teller; T Okada; R E Stenkamp; M Yamamoto; M Miyano
Journal:  Science       Date:  2000-08-04       Impact factor: 47.728

3.  Identification by site-directed mutagenesis of residues involved in ligand recognition and activation of the human A3 adenosine receptor.

Authors:  Zhan-Guo Gao; Aishe Chen; Dov Barak; Soo-Kyung Kim; Christa E Müller; Kenneth A Jacobson
Journal:  J Biol Chem       Date:  2002-03-12       Impact factor: 5.157

4.  Derivatives of the triazoloquinazoline adenosine antagonist (CGS 15943) having high potency at the human A2B and A3 receptor subtypes.

Authors:  Y C Kim; M de Zwart; L Chang; S Moro; J K von Frijtag Drabbe Künzel; N Melman; A P IJzerman; K A Jacobson
Journal:  J Med Chem       Date:  1998-07-16       Impact factor: 7.446

5.  Arrangement of rhodopsin transmembrane alpha-helices.

Authors:  V M Unger; P A Hargrave; J M Baldwin; G F Schertler
Journal:  Nature       Date:  1997-09-11       Impact factor: 49.962

6.  Site-directed mutagenesis of the human A1 adenosine receptor: influences of acidic and hydroxy residues in the first four transmembrane domains on ligand binding.

Authors:  H Barbhaiya; R McClain; A Ijzerman; S A Rivkees
Journal:  Mol Pharmacol       Date:  1996-12       Impact factor: 4.436

7.  Site-directed mutagenesis studies of human A(2A) adenosine receptors: involvement of glu(13) and his(278) in ligand binding and sodium modulation.

Authors:  Z G Gao; Q Jiang; K A Jacobson; A P Ijzerman
Journal:  Biochem Pharmacol       Date:  2000-09-01       Impact factor: 5.858

Review 8.  Novel GPCRs and their endogenous ligands: expanding the boundaries of physiology and pharmacology.

Authors:  A Marchese; S R George; L F Kolakowski; K R Lynch; B F O'Dowd
Journal:  Trends Pharmacol Sci       Date:  1999-09       Impact factor: 14.819

9.  Site-directed mutagenesis identifies residues involved in ligand recognition in the human A2a adenosine receptor.

Authors:  J Kim; J Wess; A M van Rhee; T Schöneberg; K A Jacobson
Journal:  J Biol Chem       Date:  1995-06-09       Impact factor: 5.157

10.  Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides.

Authors:  K A Jacobson; Z G Gao; A Chen; D Barak; S A Kim; K Lee; A Link; P V Rompaey; S van Calenbergh; B T Liang
Journal:  J Med Chem       Date:  2001-11-22       Impact factor: 7.446
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  12 in total

1.  Exploring human adenosine A3 receptor complementarity and activity for adenosine analogues modified in the ribose and purine moiety.

Authors:  Philippe Van Rompaey; Kenneth A Jacobson; Ariel S Gross; Zhan-Guo Gao; Serge Van Calenbergh
Journal:  Bioorg Med Chem       Date:  2005-02-15       Impact factor: 3.641

Review 2.  The neuroprotective effects of caffeine in neurodegenerative diseases.

Authors:  Mahshad Kolahdouzan; Mazen J Hamadeh
Journal:  CNS Neurosci Ther       Date:  2017-04       Impact factor: 5.243

3.  Forced unbinding of GPR17 ligands from wild type and R255I mutant receptor models through a computational approach.

Authors:  Chiara Parravicini; Maria P Abbracchio; Piercarlo Fantucci; Graziella Ranghino
Journal:  BMC Struct Biol       Date:  2010-03-16

4.  Prediction of the 3-D structure of rat MrgA G protein-coupled receptor and identification of its binding site.

Authors:  Jiyoung Heo; Nagarajan Vaidehi; John Wendel; William A Goddard
Journal:  J Mol Graph Model       Date:  2007-07-14       Impact factor: 2.518

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

Authors:  Veli-Pekka Jaakola; Mark T Griffith; Michael A Hanson; Vadim Cherezov; Ellen Y T Chien; J Robert Lane; Adriaan P Ijzerman; Raymond C Stevens
Journal:  Science       Date:  2008-10-02       Impact factor: 47.728

Review 6.  Progress in the pursuit of therapeutic adenosine receptor antagonists.

Authors:  Stefano Moro; Zhan-Guo Gao; Kenneth A Jacobson; Giampiero Spalluto
Journal:  Med Res Rev       Date:  2006-03       Impact factor: 12.388

7.  Pyrazolo-triazolo-pyrimidines as adenosine receptor antagonists: A complete structure-activity profile.

Authors:  Barbara Cacciari; Chiara Bolcato; Giampiero Spalluto; Karl-Norbet Klotz; Magdalena Bacilieri; Francesca Deflorian; Stefano Moro
Journal:  Purinergic Signal       Date:  2006-11-14       Impact factor: 3.765

8.  GPR17: molecular modeling and dynamics studies of the 3-D structure and purinergic ligand binding features in comparison with P2Y receptors.

Authors:  Chiara Parravicini; Graziella Ranghino; Maria P Abbracchio; Piercarlo Fantucci
Journal:  BMC Bioinformatics       Date:  2008-06-04       Impact factor: 3.169

9.  Molecular Docking and Prediction of Pharmacokinetic Properties of Dual Mechanism Drugs that Block MAO-B and Adenosine A(2A) Receptors for the Treatment of Parkinson's Disease.

Authors:  Faizul Azam; Arwa M Madi; Hamed I Ali
Journal:  J Young Pharm       Date:  2012-07

10.  Signaling specificity provided by the Arabidopsis thaliana heterotrimeric G-protein γ subunits AGG1 and AGG2 is partially but not exclusively provided through transcriptional regulation.

Authors:  Leena Thung; David Chakravorty; Yuri Trusov; Alan M Jones; José Ramón Botella
Journal:  PLoS One       Date:  2013-03-08       Impact factor: 3.240
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