메뉴 건너뛰기




Volumn 26, Issue 1, 2005, Pages 44-51

Techniques: Recent developments in computer-aided engineering of GPCR ligands using the human adenosine A 3 receptor as an example

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE A3 RECEPTOR; ADENOSINE A3 RECEPTOR AGONIST; ADENOSINE A3 RECEPTOR ANTAGONIST; G PROTEIN COUPLED RECEPTOR; LIGAND; RECEPTOR SUBUNIT; RHODOPSIN;

EID: 11144241002     PISSN: 01656147     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tips.2004.11.006     Document Type: Review
Times cited : (76)

References (46)
  • 1
    • 3242793327 scopus 로고    scopus 로고
    • Historical review: A brief history and personal retrospective of seven-transmembrane receptors
    • R.J. Lefkowitz Historical review: a brief history and personal retrospective of seven-transmembrane receptors Trends Pharmacol. Sci. 25 2004 413 422
    • (2004) Trends Pharmacol. Sci. , vol.25 , pp. 413-422
    • Lefkowitz, R.J.1
  • 2
    • 0033118334 scopus 로고    scopus 로고
    • Molecular tinkering of G protein-coupled receptors: An evolutionary success
    • J. Bockaert, and J.P. Pin Molecular tinkering of G protein-coupled receptors: an evolutionary success EMBO J. 18 1999 1723 1729
    • (1999) EMBO J. , vol.18 , pp. 1723-1729
    • Bockaert, J.1    Pin, J.P.2
  • 3
    • 4143085992 scopus 로고    scopus 로고
    • Single transmembrane spanning heterotrimeric G protein-coupled receptors and their signaling cascades
    • T.B. Patel Single transmembrane spanning heterotrimeric G protein-coupled receptors and their signaling cascades Pharmacol. Rev. 56 2004 371 385
    • (2004) Pharmacol. Rev. , vol.56 , pp. 371-385
    • Patel, T.B.1
  • 4
    • 0034862452 scopus 로고    scopus 로고
    • Beta-arrestins: New roles in regulating heptahelical receptors' functions
    • P.H. McDonald, and R.J. Lefkowitz Beta-arrestins: new roles in regulating heptahelical receptors' functions Cell. Signal. 13 2001 683 689
    • (2001) Cell. Signal. , vol.13 , pp. 683-689
    • McDonald, P.H.1    Lefkowitz, R.J.2
  • 5
    • 0037101776 scopus 로고    scopus 로고
    • G-protein-coupled receptors for neurotransmitter amino acids: C-terminal tails, crowded signalosomes
    • O. El Far, and H. Betz G-protein-coupled receptors for neurotransmitter amino acids: C-terminal tails, crowded signalosomes Biochem. J. 365 2002 329 336
    • (2002) Biochem. J. , vol.365 , pp. 329-336
    • El Far, O.1    Betz, H.2
  • 6
    • 3042663287 scopus 로고    scopus 로고
    • G protein-coupled receptor dimerization: Function and ligand pharmacology
    • G. Milligan G protein-coupled receptor dimerization: function and ligand pharmacology Mol. Pharmacol. 66 2004 1 7
    • (2004) Mol. Pharmacol. , vol.66 , pp. 1-7
    • Milligan, G.1
  • 7
    • 0038024615 scopus 로고    scopus 로고
    • The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints
    • R. Fredriksson The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints Mol. Pharmacol. 63 2003 1256 1272
    • (2003) Mol. Pharmacol. , vol.63 , pp. 1256-1272
    • Fredriksson, R.1
  • 8
    • 0037494099 scopus 로고    scopus 로고
    • The crystallographic model of rhodopsin and its use in studies of other G protein-coupled receptors
    • S. Filipek The crystallographic model of rhodopsin and its use in studies of other G protein-coupled receptors Annu. Rev. Biophys. Biomol. Struct. 32 2003 375 397
    • (2003) Annu. Rev. Biophys. Biomol. Struct. , vol.32 , pp. 375-397
    • Filipek, S.1
  • 9
    • 3843095917 scopus 로고    scopus 로고
    • G protein-coupled receptors: In silico drug discovery in 3D
    • O.M. Becker G protein-coupled receptors: in silico drug discovery in 3D Proc. Natl. Acad. Sci. U. S. A. 101 2004 11304 11309
    • (2004) Proc. Natl. Acad. Sci. U. S. A. , vol.101 , pp. 11304-11309
    • Becker, O.M.1
  • 10
    • 0037020329 scopus 로고    scopus 로고
    • Drug design strategies for targeting G-protein-coupled receptors
    • T. Klabunde, and G. Hessler Drug design strategies for targeting G-protein-coupled receptors Chembiochem 3 2002 928 944
    • (2002) Chembiochem , vol.3 , pp. 928-944
    • Klabunde, T.1    Hessler, G.2
  • 11
    • 3042557815 scopus 로고    scopus 로고
    • Allosteric modulation of G protein-coupled receptors
    • L.T. May Allosteric modulation of G protein-coupled receptors Curr. Pharm. Des. 10 2004 2003 2013
    • (2004) Curr. Pharm. Des. , vol.10 , pp. 2003-2013
    • May, L.T.1
  • 12
    • 0347510989 scopus 로고    scopus 로고
    • Demystifying the three dimensional structure of G protein-coupled receptors (GPCRs) with the aid of molecular modeling
    • S. Moro Demystifying the three dimensional structure of G protein-coupled receptors (GPCRs) with the aid of molecular modeling Chem. Commun. (Camb.) 21 2003 2949 2956
    • (2003) Chem. Commun. (Camb.) , vol.21 , pp. 2949-2956
    • Moro, S.1
  • 13
    • 0038604758 scopus 로고    scopus 로고
    • Pharmacology and therapeutic applications of A3 receptor subtype
    • P. Fishman, and S. Bar-Yehuda Pharmacology and therapeutic applications of A3 receptor subtype Curr. Top. Med. Chem. 3 2003 463 469
    • (2003) Curr. Top. Med. Chem. , vol.3 , pp. 463-469
    • Fishman, P.1    Bar-Yehuda, S.2
  • 14
    • 0033756241 scopus 로고    scopus 로고
    • Structure and function of adenosine receptors and their genes
    • B.B. Fredholm Structure and function of adenosine receptors and their genes Naunyn Schmiedebergs Arch. Pharmacol. 362 2000 364 374
    • (2000) Naunyn Schmiedebergs Arch. Pharmacol. , vol.362 , pp. 364-374
    • Fredholm, B.B.1
  • 15
    • 0033939473 scopus 로고    scopus 로고
    • Distinct cardioprotective effects of adenosine mediated by differential coupling of receptor subtypes to phospholipases C and D
    • M. Parsons Distinct cardioprotective effects of adenosine mediated by differential coupling of receptor subtypes to phospholipases C and D FASEB J. 14 2000 1423 1431
    • (2000) FASEB J. , vol.14 , pp. 1423-1431
    • Parsons, M.1
  • 16
    • 0034087687 scopus 로고    scopus 로고
    • Subtype-specific kinetics of inhibitory adenosine receptor internalization are determined by sensitivity to phosphorylation by G protein-coupled receptor kinases
    • G. Ferguson Subtype-specific kinetics of inhibitory adenosine receptor internalization are determined by sensitivity to phosphorylation by G protein-coupled receptor kinases Mol. Pharmacol. 57 2000 546 552
    • (2000) Mol. Pharmacol. , vol.57 , pp. 546-552
    • Ferguson, G.1
  • 17
    • 0034006037 scopus 로고    scopus 로고
    • Identification of threonine residues controlling the agonist-dependent phosphorylation and desensitization of the rat A(3) adenosine receptor
    • T.M. Palmer, and G.L. Stiles Identification of threonine residues controlling the agonist-dependent phosphorylation and desensitization of the rat A(3) adenosine receptor Mol. Pharmacol. 57 2000 539 545
    • (2000) Mol. Pharmacol. , vol.57 , pp. 539-545
    • Palmer, T.M.1    Stiles, G.L.2
  • 18
    • 0038057340 scopus 로고    scopus 로고
    • Targeting adenosine receptors: Novel therapeutic targets in asthma and chronic obstructive pulmonary disease
    • S. Rorke, and S.T. Holgate Targeting adenosine receptors: novel therapeutic targets in asthma and chronic obstructive pulmonary disease Am J Respir Med 1 2002 99 105
    • (2002) Am J Respir Med , vol.1 , pp. 99-105
    • Rorke, S.1    Holgate, S.T.2
  • 19
    • 0031593681 scopus 로고    scopus 로고
    • Adenosine A3 receptors: Novel ligands and paradoxical effects
    • K.A. Jacobson Adenosine A3 receptors: novel ligands and paradoxical effects Trends Pharmacol. Sci. 19 1998 184 191
    • (1998) Trends Pharmacol. Sci. , vol.19 , pp. 184-191
    • Jacobson, K.A.1
  • 20
    • 0036943254 scopus 로고    scopus 로고
    • Purines and neuroprotection
    • T.W. Stone Purines and neuroprotection Adv. Exp. Med. Biol. 513 2002 249 280
    • (2002) Adv. Exp. Med. Biol. , vol.513 , pp. 249-280
    • Stone, T.W.1
  • 21
    • 0038265864 scopus 로고    scopus 로고
    • Medicinal chemistry of adenosine A3 receptor ligands
    • C.E. Muller Medicinal chemistry of adenosine A3 receptor ligands Curr. Top. Med. Chem. 3 2003 445 462
    • (2003) Curr. Top. Med. Chem. , vol.3 , pp. 445-462
    • Muller, C.E.1
  • 22
    • 0035117505 scopus 로고    scopus 로고
    • Minireview: Insights into G protein-coupled receptor function using molecular models
    • M.C. Gershengorn, and R. Osman Minireview: insights into G protein-coupled receptor function using molecular models Endocrinology 142 2001 2 10
    • (2001) Endocrinology , vol.142 , pp. 2-10
    • Gershengorn, M.C.1    Osman, R.2
  • 23
    • 0037494099 scopus 로고    scopus 로고
    • The crystallographic model of rhodopsin and its use in studies of other G protein-coupled receptors
    • S. Filipek The crystallographic model of rhodopsin and its use in studies of other G protein-coupled receptors Annu. Rev. Biophys. Biomol. Struct. 32 2003 375 397
    • (2003) Annu. Rev. Biophys. Biomol. Struct. , vol.32 , pp. 375-397
    • Filipek, S.1
  • 24
    • 0037215651 scopus 로고    scopus 로고
    • Rhodopsin crystal: New template yielding realistic models of G-protein-coupled receptors?
    • E. Archer Rhodopsin crystal: new template yielding realistic models of G-protein-coupled receptors? Trends Pharmacol. Sci. 24 2003 36 40
    • (2003) Trends Pharmacol. Sci. , vol.24 , pp. 36-40
    • Archer, E.1
  • 25
    • 0034604451 scopus 로고    scopus 로고
    • Crystal structure of rhodopsin: A G protein-coupled receptor
    • K. Palczewski Crystal structure of rhodopsin: A G protein-coupled receptor Science 289 2000 739 745
    • (2000) Science , vol.289 , pp. 739-745
    • Palczewski, K.1
  • 26
    • 1542316348 scopus 로고    scopus 로고
    • Novel approaches for modeling of the A1 adenosine receptor and its agonist binding site
    • H. Gutierrez-de-Teran Novel approaches for modeling of the A1 adenosine receptor and its agonist binding site Proteins 54 2004 705 715
    • (2004) Proteins , vol.54 , pp. 705-715
    • Gutierrez-De-Teran, H.1
  • 27
    • 2942722780 scopus 로고    scopus 로고
    • High-throughput modeling of human G-protein coupled receptors: Amino acid sequence alignment, three-dimensional model building, and receptor library screening
    • C. Bissantz High-throughput modeling of human G-protein coupled receptors: amino acid sequence alignment, three-dimensional model building, and receptor library screening J. Chem. Inf. Comput. Sci. 44 2004 1162 1176
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 1162-1176
    • Bissantz, C.1
  • 28
    • 0344550379 scopus 로고    scopus 로고
    • Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site
    • E.S. Vermeulen Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site J. Med. Chem. 46 2003 5365 5374
    • (2003) J. Med. Chem. , vol.46 , pp. 5365-5374
    • Vermeulen, E.S.1
  • 29
    • 0242362595 scopus 로고    scopus 로고
    • Modeling the adenosine receptors: Comparison of the binding domains of A2A agonists and antagonists
    • S.K. Kim Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists J. Med. Chem. 46 2003 4847 4859
    • (2003) J. Med. Chem. , vol.46 , pp. 4847-4859
    • Kim, S.K.1
  • 30
    • 19944429228 scopus 로고    scopus 로고
    • Combined structure-based and ligand-based drug design approach as tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: Pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study
    • (in press)
    • Moro, S. et al. Combined structure-based and ligand-based drug design approach as tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study. J. Med. Chem. (in press)
    • J. Med. Chem.
    • Moro, S.1
  • 31
    • 0037103340 scopus 로고    scopus 로고
    • Synthesis, biological properties, and molecular modeling investigation of the first potent, selective, and water-soluble human A(3) adenosine receptor antagonist
    • A. Maconi Synthesis, biological properties, and molecular modeling investigation of the first potent, selective, and water-soluble human A(3) adenosine receptor antagonist J. Med. Chem. 45 2002 3579 3582
    • (2002) J. Med. Chem. , vol.45 , pp. 3579-3582
    • MacOni, A.1
  • 32
    • 0141457802 scopus 로고    scopus 로고
    • Pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as adenosine receptor antagonists. Influence of the N5 substituent on the affinity at the human A3 and A2B adenosine receptor subtypes: A molecular modeling investigation
    • G. Pastorin Pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives as adenosine receptor antagonists. Influence of the N5 substituent on the affinity at the human A3 and A2B adenosine receptor subtypes: a molecular modeling investigation J. Med. Chem. 46 2003 4287 4296
    • (2003) J. Med. Chem. , vol.46 , pp. 4287-4296
    • Pastorin, G.1
  • 33
    • 3042689599 scopus 로고    scopus 로고
    • 1,2,4-Triazolo[4,3-a]quinoxalin-1-one moiety as an attractive scaffold to develop new potent and selective human A3 adenosine receptor antagonists: Synthesis, pharmacological, and ligand-receptor modeling studies
    • V. Colotta 1,2,4-triazolo[4,3-a]quinoxalin-1-one moiety as an attractive scaffold to develop new potent and selective human A3 adenosine receptor antagonists: synthesis, pharmacological, and ligand-receptor modeling studies J. Med. Chem. 47 2004 3580 3590
    • (2004) J. Med. Chem. , vol.47 , pp. 3580-3590
    • Colotta, V.1
  • 34
    • 1842731069 scopus 로고    scopus 로고
    • Exploring distal regions of the A3 adenosine receptor binding site: Sterically constrained N6-(2-phenylethyl)adenosine derivatives as potent ligands
    • S. Tchilibon Exploring distal regions of the A3 adenosine receptor binding site: sterically constrained N6-(2-phenylethyl)adenosine derivatives as potent ligands Bioorg. Med. Chem. 12 2004 2021 2034
    • (2004) Bioorg. Med. Chem. , vol.12 , pp. 2021-2034
    • Tchilibon, S.1
  • 35
    • 0028050692 scopus 로고
    • Role of the second extracellular loop of adenosine receptors in agonist and antagonist binding. Analysis of chimeric A1/A3 adenosine receptors
    • M.E. Olah Role of the second extracellular loop of adenosine receptors in agonist and antagonist binding. Analysis of chimeric A1/A3 adenosine receptors J. Biol. Chem. 269 1994 24692 24698
    • (1994) J. Biol. Chem. , vol.269 , pp. 24692-24698
    • Olah, M.E.1
  • 36
    • 0034764185 scopus 로고    scopus 로고
    • Allosteric modulation of A(3) adenosine receptors by a series of 3-(2-pyridinyl)isoquinoline derivatives
    • Z.G. Gao Allosteric modulation of A(3) adenosine receptors by a series of 3-(2-pyridinyl)isoquinoline derivatives Mol. Pharmacol. 60 2001 1057 1063
    • (2001) Mol. Pharmacol. , vol.60 , pp. 1057-1063
    • Gao, Z.G.1
  • 37
    • 0037166356 scopus 로고    scopus 로고
    • Identification by site-directed mutagenesis of residues involved in ligand recognition and activation of the human A3 adenosine receptor
    • Z.G. Gao Identification by site-directed mutagenesis of residues involved in ligand recognition and activation of the human A3 adenosine receptor J. Biol. Chem. 277 2002 19056 19063
    • (2002) J. Biol. Chem. , vol.277 , pp. 19056-19063
    • Gao, Z.G.1
  • 38
    • 0035935737 scopus 로고    scopus 로고
    • 3 receptor with selectively enhanced affinity for amine-modified nucleosides
    • 3 receptor with selectively enhanced affinity for amine-modified nucleosides J. Med. Chem. 44 2001 4125 4136
    • (2001) J. Med. Chem. , vol.44 , pp. 4125-4136
    • Jacobson, K.A.1
  • 39
    • 36148932259 scopus 로고    scopus 로고
    • 3 adenosine receptors
    • (Doherty, A.M. ed.), Elsevier
    • 3 adenosine receptors. In Annual Report in Medicinal Chemistry (Vol. 38) (Doherty, A.M. ed.), pp. 121-130, Elsevier
    • (2003) Annual Report in Medicinal Chemistry , vol.38 , pp. 121-130
    • Jacobson, K.A.1
  • 40
    • 0035989543 scopus 로고    scopus 로고
    • Interactions of flavones and other phytochemicals with adenosine receptors
    • K.A. Jacobson Interactions of flavones and other phytochemicals with adenosine receptors Adv. Exp. Med. Biol. 505 2002 163 171
    • (2002) Adv. Exp. Med. Biol. , vol.505 , pp. 163-171
    • Jacobson, K.A.1
  • 41
    • 15444338833 scopus 로고    scopus 로고
    • Flavonoid derivatives as adenosine receptor antagonists: A comparison of the hypothetical receptor binding site based on a comparative molecular field analysis model
    • S. Moro Flavonoid derivatives as adenosine receptor antagonists: a comparison of the hypothetical receptor binding site based on a comparative molecular field analysis model J. Med. Chem. 41 1998 46 52
    • (1998) J. Med. Chem. , vol.41 , pp. 46-52
    • Moro, S.1
  • 42
    • 0030796012 scopus 로고    scopus 로고
    • 3 adenosine receptor antagonists
    • 3 adenosine receptor antagonists J. Med. Chem. 40 1997 2596 2608
    • (1997) J. Med. Chem. , vol.40 , pp. 2596-2608
    • Jiang, J.-L.1
  • 43
    • 0033602131 scopus 로고    scopus 로고
    • 3 adenosine receptor antagonists
    • 3 adenosine receptor antagonists J. Med. Chem. 42 1999 706 721
    • (1999) J. Med. Chem. , vol.42 , pp. 706-721
    • Li, A.-H.1
  • 44
    • 0037075142 scopus 로고    scopus 로고
    • 3 adenosine receptor antagonists
    • 3 adenosine receptor antagonists J. Med. Chem. 45 2002 770 780
    • (2002) J. Med. Chem. , vol.45 , pp. 770-780
    • Baraldi, P.G.1
  • 45
    • 0032199176 scopus 로고    scopus 로고
    • Molecular modeling studies of human A3 adenosine antagonists: Structural homology and receptor docking
    • S. Moro Molecular modeling studies of human A3 adenosine antagonists: structural homology and receptor docking J. Chem. Inf. Comput. Sci. 38 1998 1239 1248
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 1239-1248
    • Moro, S.1
  • 46
    • 0034598352 scopus 로고    scopus 로고
    • The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family
    • T.R. Webb The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family Bioorg. Med. Chem. Lett. 10 2000 31 34
    • (2000) Bioorg. Med. Chem. Lett. , vol.10 , pp. 31-34
    • Webb, T.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.