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Volumn 49, Issue 15, 2006, Pages 4470-4476

Computational elucidation of the structural basis of ligand binding to the dopamine 3 receptor through docking and homology modeling

Author keywords

[No Author keywords available]

Indexed keywords

DOPAMINE 3 RECEPTOR; DOPAMINE 3 RECEPTOR BLOCKING AGENT; LIGAND;

EID: 33746740424     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0501634     Document Type: Article
Times cited : (24)

References (75)
  • 6
    • 0032909372 scopus 로고    scopus 로고
    • Localization of brain reinforcement mechanisms: Intracranial self-stimulation and intracranial place-conditioning studies
    • McBride, W. J.; Murphy, J. M.; Ikemoto, S. Localization of brain reinforcement mechanisms: intracranial self-stimulation and intracranial place-conditioning studies. Behav. Brain Res. 1999, 101, 129-152.
    • (1999) Behav. Brain Res. , vol.101 , pp. 129-152
    • McBride, W.J.1    Murphy, J.M.2    Ikemoto, S.3
  • 7
    • 0032829657 scopus 로고    scopus 로고
    • Dopamine receptors - Physiological understanding to therapeutic intervention potential
    • Emilien, G.; Maloteaux, J.-M.; Geurts, M.; Hoogenberg, K.; Cragg, S. Dopamine receptors - physiological understanding to therapeutic intervention potential. Pharmacol. Ther. 1999, 84, 133-156.
    • (1999) Pharmacol. Ther. , vol.84 , pp. 133-156
    • Emilien, G.1    Maloteaux, J.-M.2    Geurts, M.3    Hoogenberg, K.4    Cragg, S.5
  • 8
    • 0034055689 scopus 로고    scopus 로고
    • Possible implications for the dopamine D3 receptor in schizophrenia and in antipsychotic drug actions
    • Schwartz, J.-C.; Diaz, J.; Pilon, C.; Sokoloff, P. Possible implications for the dopamine D3 receptor in schizophrenia and in antipsychotic drug actions. Brain Res. Brain Res. Rev. 2000, 31, 277-287.
    • (2000) Brain Res. Brain Res. Rev. , vol.31 , pp. 277-287
    • Schwartz, J.-C.1    Diaz, J.2    Pilon, C.3    Sokoloff, P.4
  • 9
    • 0035101404 scopus 로고    scopus 로고
    • Antipsychotic drugs: Importance of dopamine receptors for mechanisms of therapeutic actions and side effects
    • Strange, P. G. Antipsychotic drugs: Importance of dopamine receptors for mechanisms of therapeutic actions and side effects. Pharmacol. Rev. 2001, 53, 119-133.
    • (2001) Pharmacol. Rev. , vol.53 , pp. 119-133
    • Strange, P.G.1
  • 11
    • 0033615028 scopus 로고    scopus 로고
    • Pharmacotherapies for treatment of cocaine abuse: Preclinical aspects
    • Carroll, F. I.; Howell, L. L.; Kuhar, M. J. Pharmacotherapies for treatment of cocaine abuse: preclinical aspects. J. Med. Chem. 1999, 42, 2721-2731.
    • (1999) J. Med. Chem. , vol.42 , pp. 2721-2731
    • Carroll, F.I.1    Howell, L.L.2    Kuhar, M.J.3
  • 12
    • 0030610305 scopus 로고    scopus 로고
    • 3 dopamine receptor: Neurobiology and potential clinical relevance
    • 3 dopamine receptor: neurobiology and potential clinical relevance. Pharmacol. Rev. 1997, 49, 231-252.
    • (1997) Pharmacol. Rev. , vol.49 , pp. 231-252
    • Levant, B.1
  • 13
    • 0035182786 scopus 로고    scopus 로고
    • Toward a molecular understanding of psychostimulant actions using genetically engineered dopamine receptor knockout mice as model systems
    • Zhang, J.; Xu, M. Toward a molecular understanding of psychostimulant actions using genetically engineered dopamine receptor knockout mice as model systems. J. Addict. Dis. 2001, 20, 7-18.
    • (2001) J. Addict. Dis. , vol.20 , pp. 7-18
    • Zhang, J.1    Xu, M.2
  • 14
    • 0027362439 scopus 로고
    • Regional neuropathology in schizophrenia: Where are we? Where are we going?
    • Shapiro, R. M. Regional neuropathology in schizophrenia: where are we? Where are we going? Schizophr. Res. 1993, 10, 187-239.
    • (1993) Schizophr. Res. , vol.10 , pp. 187-239
    • Shapiro, R.M.1
  • 16
    • 0032588739 scopus 로고    scopus 로고
    • 3 receptors and the actions of neuroleptics in the ventral striatopallidal system of schizophrenics
    • 3 receptors and the actions of neuroleptics in the ventral striatopallidal system of schizophrenics. Ann. N. Y. Acad. Sci. 1999, 877, 595-613.
    • (1999) Ann. N. Y. Acad. Sci. , vol.877 , pp. 595-613
    • Joyce, J.N.1    Gurevich, E.V.2
  • 18
  • 20
    • 0032909372 scopus 로고    scopus 로고
    • Localization of brain reinforcement mechanisms: Intracranial self-stimulation and intracranial place-conditioning studies
    • McBride, W. J.; Murphy, J. M.; Ikemoto, S. Localization of brain reinforcement mechanisms: intracranial self-stimulation and intracranial place-conditioning studies. Behav. Brain Res. 1999, 101, 129-152.
    • (1999) Behav. Brain Res. , vol.101 , pp. 129-152
    • McBride, W.J.1    Murphy, J.M.2    Ikemoto, S.3
  • 21
    • 0037019828 scopus 로고    scopus 로고
    • 3 receptor ligands with antagonist properties
    • 3 receptor ligands with antagonist properties. ChemBioChem. 2002, 3, 946-961.
    • (2002) ChemBioChem , vol.3 , pp. 946-961
    • Hackling, A.E.1    Stark, H.2
  • 22
    • 20144378943 scopus 로고    scopus 로고
    • Dopamine D3 receptor partial agonists and antagonists as potential drug abuse therapeutic agents
    • Newman, A. H.; Grundt, P.; Nader, M. A. Dopamine D3 Receptor Partial Agonists and Antagonists as Potential Drug Abuse Therapeutic Agents, J. Med. Chem. 2005, 48, 3663-3679.
    • (2005) J. Med. Chem. , vol.48 , pp. 3663-3679
    • Newman, A.H.1    Grundt, P.2    Nader, M.A.3
  • 23
    • 0141992809 scopus 로고    scopus 로고
    • 3 ligands through a hybrid pharmacophore- and structure-based database searching approach
    • 3 ligands through a hybrid pharmacophore- and structure-based database searching approach. J. Med. Chem. 2003, 46, 4377-4392.
    • (2003) J. Med. Chem. , vol.46 , pp. 4377-4392
    • Varady, J.1    Wu, X.2    Fang, X.3    Min, J.4    Hu, Z.5    Levant, B.6
  • 25
    • 0031565726 scopus 로고    scopus 로고
    • An Alpha-carbon template for the transmembrane helices in the rhodopsin family of G-protein-coupled receptors
    • Baldwin, J. M.; Schertler, G. F. X.; Unger, V. M. An Alpha-carbon template for the transmembrane helices in the rhodopsin family of G-protein-coupled receptors. J. Mol. Biol. 1997, 272, 144-164.
    • (1997) J. Mol. Biol. , vol.272 , pp. 144-164
    • Baldwin, J.M.1    Schertler, G.F.X.2    Unger, V.M.3
  • 26
    • 0032991267 scopus 로고    scopus 로고
    • A solvent model for simulations of peptides in bilayers. II. Membrane-spanning α-helices
    • Efremov, R. G.; Nolde, D. E.; Vergoten, G.; Arseniev, A. S. A solvent model for simulations of peptides in bilayers. II. Membrane-spanning α-helices. Biophys. J. 1999, 76, 2460-2471.
    • (1999) Biophys. J. , vol.76 , pp. 2460-2471
    • Efremov, R.G.1    Nolde, D.E.2    Vergoten, G.3    Arseniev, A.S.4
  • 27
    • 0001008704 scopus 로고
    • Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid-crystal phases
    • Heller, H.; Schaefer, M.; Schulten, K. Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid-crystal phases. J. Phys. Chem. 1993, 97, 8343-8360.
    • (1993) J. Phys. Chem. , vol.97 , pp. 8343-8360
    • Heller, H.1    Schaefer, M.2    Schulten, K.3
  • 29
    • 0034948696 scopus 로고    scopus 로고
    • Structural mimicry in G protein-coupled receptors: Implications of the high-resolution of rhodopsin for structure-function analysis of rhodopsin-like receptors
    • Ballesteros, J. A.; Shi, L.; Javitch, J. A. Structural mimicry in G protein-coupled receptors: implications of the high-resolution of rhodopsin for structure-function analysis of rhodopsin-like receptors. Mol. Pharmacol. 2001, 60, 1-19.
    • (2001) Mol. Pharmacol. , vol.60 , pp. 1-19
    • Ballesteros, J.A.1    Shi, L.2    Javitch, J.A.3
  • 30
    • 0036169280 scopus 로고    scopus 로고
    • The binding site of aminergic G protein-coupled receptors: The transmembrane segments and second extracellular loop
    • Shi, L.; Javitch, J. The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop. Annu. Rev. Pharmacol. Toxicol. 2002, 42, 437-467.
    • (2002) Annu. Rev. Pharmacol. Toxicol. , vol.42 , pp. 437-467
    • Shi, L.1    Javitch, J.2
  • 31
    • 0029617613 scopus 로고
    • 2 receptor exposed in the binding-site crevice
    • 2 receptor exposed in the binding-site crevice. Biochemistry 1995, 34, 16433-39.
    • (1995) Biochemistry , vol.34 , pp. 16433-16439
    • Javitch, J.A.1    Fu, D.2    Chen, J.3
  • 32
    • 0028920298 scopus 로고
    • 2 receptor by the substituted-cysteine accessibility method
    • 2 receptor by the substituted-cysteine accessibility method. Neuron 1995, 14, 825-831.
    • (1995) Neuron , vol.14 , pp. 825-831
    • Javitch, J.A.1    Fu, D.2    Chen, J.3    Karlin, A.4
  • 33
    • 0035899988 scopus 로고    scopus 로고
    • 2 receptor: Accessibility in the binding site crevice and position in the transmembrane bundle
    • 2 receptor: Accessibility in the binding site crevice and position in the transmembrane bundle. Biochemistry 2001, 40, 12339-12348.
    • (2001) Biochemistry , vol.40 , pp. 12339-12348
    • Shi, L.1    Simpson, M.M.2    Ballesteros, J.A.3    Javitch, J.A.4
  • 39
    • 0029664506 scopus 로고    scopus 로고
    • 2 ligands by their sensitivities to modification of the cysteine exposed in the binding-site crevice
    • 2 ligands by their sensitivities to modification of the cysteine exposed in the binding-site crevice. Mol Pharmacol. 1996, 49, 692-698.
    • (1996) Mol. Pharmacol. , vol.49 , pp. 692-698
    • Javitch, J.A.1    Fu, D.2    Chen, J.3
  • 44
    • 0032766707 scopus 로고    scopus 로고
    • Comparison of the ligand binding and signaling properties of human dopamine D(2) and D(3) receptors in Chinese hamster ovary cells
    • Vanhauwe, J. F.; Fraeyman, N.; Francken, B. J.; Luyten, W. H.; Leysen, J. E. Comparison of the ligand binding and signaling properties of human dopamine D(2) and D(3) receptors in Chinese hamster ovary cells. J. Pharmacol. Exp. Ther. 1999, 290, 908-916.
    • (1999) J. Pharmacol. Exp. Ther. , vol.290 , pp. 908-916
    • Vanhauwe, J.F.1    Fraeyman, N.2    Francken, B.J.3    Luyten, W.H.4    Leysen, J.E.5
  • 45
    • 0031969706 scopus 로고    scopus 로고
    • 3 receptor measured by guanosine 5′-gamma-thiotriphosphate-35S-binding
    • 3 receptor measured by guanosine 5′-gamma- thiotriphosphate-35S-binding. J. Pharmacol. Exp. Ther. 1998, 285, 119-126.
    • (1998) J. Pharmacol. Exp. Ther. , vol.285 , pp. 119-126
    • Malmberg, M.1    Mohell, N.2
  • 46
    • 0141917003 scopus 로고    scopus 로고
    • supplied by Accelrys Inc., San Diego, CA
    • 2, a molecular modeling system, supplied by Accelrys Inc., San Diego, CA.
    • 2, a Molecular Modeling System
  • 47
    • 11644261806 scopus 로고    scopus 로고
    • Automated docking using Lamarckian genetic algorithm and an empirical binding free energy function
    • Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. Automated docking using Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. 1998, 19, 1639-1662.
    • (1998) J. Comput. Chem. , vol.19 , pp. 1639-1662
    • Morris, G.M.1    Goodsell, D.S.2    Halliday, R.S.3    Huey, R.4    Hart, W.E.5    Belew, R.K.6    Olson, A.J.7
  • 48
    • 0029705324 scopus 로고    scopus 로고
    • Docking of flexible ligands: Applications of AutoDock
    • Goodsell, D. S.; Morris, G. M.; Olson, A. J. Docking of flexible ligands: Applications of AutoDock. J. Mol. Recognit. 1996, 9, 1-5.
    • (1996) J. Mol. Recognit. , vol.9 , pp. 1-5
    • Goodsell, D.S.1    Morris, G.M.2    Olson, A.J.3
  • 53
    • 0033974667 scopus 로고    scopus 로고
    • Accommodating protein flexibility in computational drug design
    • Carlson, H. A.; McCammon, J. A. Accommodating protein flexibility in computational drug design. Mol. Pharmacol. 2000, 57, 213-218.
    • (2000) Mol. Pharmacol. , vol.57 , pp. 213-218
    • Carlson, H.A.1    McCammon, J.A.2
  • 54
    • 0031581852 scopus 로고    scopus 로고
    • Molecular docking to ensembles of protein structures
    • Knegtel, R. M. A.; Kuntz, I. D.; Oshiro, C. M. Molecular docking to ensembles of protein structures. J. Mol. Biol. 1997, 266, 424-440.
    • (1997) J. Mol. Biol. , vol.266 , pp. 424-440
    • Knegtel, R.M.A.1    Kuntz, I.D.2    Oshiro, C.M.3
  • 57
    • 0031758016 scopus 로고    scopus 로고
    • 3 dopamine receptor to ligand binding and sensitivity to external oxidizing agents
    • 3 dopamine receptor to ligand binding and sensitivity to external oxidizing agents. Br. J. Pharmacol. 1998, 125, 705-710.
    • (1998) Br. J. Pharmacol. , vol.125 , pp. 705-710
    • Alberts, G.L.1    Pregenzer, J.F.2    Im, W.B.3
  • 59
    • 0031871997 scopus 로고    scopus 로고
    • 2S dopamine receptor: Evidence for multiple, agonist-specific active conformations
    • 2S dopamine receptor: evidence for multiple, agonist-specific active conformations. Mol. Pharmacol. 1998, 54, 435-444.
    • (1998) Mol. Pharmacol. , vol.54 , pp. 435-444
    • Wiens, B.L.1    Nelson, C.S.2    Neve, K.A.3
  • 60
    • 0026729248 scopus 로고
    • Contributions of conserved serine residues to the interactions of ligands with dopamine D2 receptors
    • Cox, B. A.; Henningsen, R. A.; Spanoyannis, A.; Neve, R. L.; Neve, K. A. Contributions of conserved serine residues to the interactions of ligands with dopamine D2 receptors. J. Neurochem. 1992, 59, 627-635.
    • (1992) J. Neurochem. , vol.59 , pp. 627-635
    • Cox, B.A.1    Henningsen, R.A.2    Spanoyannis, A.3    Neve, R.L.4    Neve, K.A.5
  • 62
    • 0028971630 scopus 로고
    • 2 dopamine receptor are important for binding and signal transduction
    • 2 dopamine receptor are important for binding and signal transduction. J. Neurochem. 1995, 65, 2105-15.
    • (1995) J. Neurochem. , vol.65 , pp. 2105-2115
    • Cho, W.1    Taylor, L.P.2    Mansour, A.3    Akil, H.4
  • 64
    • 0032445730 scopus 로고    scopus 로고
    • Mutagenesis of the human 5-HT1B receptor: Differences from the closely related 5-HT1A receptor and the role of residue F331 in signal transduction
    • Granas, C.; Nordvall, G.; Larhammar, D. Mutagenesis of the human 5-HT1B receptor: differences from the closely related 5-HT1A receptor and the role of residue F331 in signal transduction. J. Recept. Signal. Transduct. Res. 1998, 18, 225-241.
    • (1998) J. Recept. Signal. Transduct. Res. , vol.18 , pp. 225-241
    • Granas, C.1    Nordvall, G.2    Larhammar, D.3
  • 65
    • 0029838206 scopus 로고    scopus 로고
    • Involvement of Asn-293 in stereospecific agonist recognition and in activation of the β2-adrenergic receptor
    • Wieland, K.; Zuurmond, H. M.; Krasel, C.; Ijzerman, A. P., Lohse, M. J. Involvement of Asn-293 in stereospecific agonist recognition and in activation of the β2-adrenergic receptor. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 9276-81.
    • (1996) Proc. Natl. Acad. Sci. U.S.A. , vol.93 , pp. 9276-9281
    • Wieland, K.1    Zuurmond, H.M.2    Krasel, C.3    Ijzerman, A.P.4    Lohse, M.J.5
  • 66
    • 0028180615 scopus 로고
    • 2 dopamine receptors: Mutation of a histidine residue specifically affects the binding of a subgroup of substituted benzamide drugs
    • 2 dopamine receptors: mutation of a histidine residue specifically affects the binding of a subgroup of substituted benzamide drugs. J. Neurochem. 1994, 62, 1664-1669.
    • (1994) J. Neurochem. , vol.62 , pp. 1664-1669
    • Woodward, R.1    Daniell, S.J.2    Strange, P.G.3    Naylor, L.H.4
  • 70
    • 0027934781 scopus 로고
    • Substituted (S)-Phenyl-piperidines and rigid congeners as preferential dopamine autoreceptor antagonists: Synthesis and structure-activity relationships
    • Sonesson, C.; Lin, C.-H.; Hansson, L.; Waters, N.; Svensson, K.; Carlsson, A.; Smith, M. W.; Wikstrom, H. Substituted (S)-Phenyl-piperidines and rigid congeners as preferential dopamine autoreceptor antagonists: synthesis and structure-activity relationships. J. Med. Chem. 1994, 37, 2735-53.
    • (1994) J. Med. Chem. , vol.37 , pp. 2735-2753
    • Sonesson, C.1    Lin, C.-H.2    Hansson, L.3    Waters, N.4    Svensson, K.5    Carlsson, A.6    Smith, M.W.7    Wikstrom, H.8
  • 73
    • 0033803397 scopus 로고    scopus 로고
    • G-protein sensitivity of ligand binding to human dopamine D(2) and D(3) receptors expressed in Escherichia coli: Clues for a constrained D(3) receptor structure
    • Vanhauwe, J. F.; Josson, K.; Luyten, W. H.; Driessen, A. J.; Leysen, J. E. G-protein sensitivity of ligand binding to human dopamine D(2) and D(3) receptors expressed in Escherichia coli: clues for a constrained D(3) receptor structure. J. Pharmacol. Exp. Ther. 2000, 295, 274-283.
    • (2000) J. Pharmacol. Exp. Ther. , vol.295 , pp. 274-283
    • Vanhauwe, J.F.1    Josson, K.2    Luyten, W.H.3    Driessen, A.J.4    Leysen, J.E.5


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