메뉴 건너뛰기




Volumn 44, Issue 6, 2004, Pages 2207-2215

Generalization of a targeted library design protocol: Application to 5-HT7 receptor ligands

Author keywords

[No Author keywords available]

Indexed keywords

CROSSLINKING; CRYSTAL STRUCTURE; ENZYMES; NETWORK PROTOCOLS; ORGANIC ACIDS; PHOTONS; POLYPEPTIDES; PROTEINS;

EID: 10044266768     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049822w     Document Type: Article
Times cited : (13)

References (47)
  • 2
    • 0034604451 scopus 로고    scopus 로고
    • Crystal structure of rhodopsin: A G protein-coupled receptor
    • Palezewski, K.; Kumasaka, T.; Hori, T.; Behnke, C. A.; Motoshima, H. et al. Crystal structure of rhodopsin: A G protein-coupled receptor. Science 2000, 289, 739-745.
    • (2000) Science , vol.289 , pp. 739-745
    • Palezewski, K.1    Kumasaka, T.2    Hori, T.3    Behnke, C.A.4    Motoshima, H.5
  • 3
    • 0035943457 scopus 로고    scopus 로고
    • Crystal structure of sensory rhodopsin II at 2.4 angstroms: Insights into color tuning and transducer interaction
    • Luecke, H.; Schobert, B.; Lanyi, J. K.; Spudich, E. N.; Spudich, J. L. Crystal structure of sensory rhodopsin II at 2.4 angstroms: insights into color tuning and transducer interaction. Science 2001, 293, 1499-1503.
    • (2001) Science , vol.293 , pp. 1499-1503
    • Luecke, H.1    Schobert, B.2    Lanyi, J.K.3    Spudich, E.N.4    Spudich, J.L.5
  • 4
    • 0036490942 scopus 로고    scopus 로고
    • Allosteric binding sites on cell-surface receptors: Novel targets for drug discovery
    • Christopoulos, A. Allosteric binding sites on cell-surface receptors: novel targets for drug discovery. Nat. Rev. Drug Discov. 2002, 1, 198-210.
    • (2002) Nat. Rev. Drug Discov. , vol.1 , pp. 198-210
    • Christopoulos, A.1
  • 5
    • 0343339895 scopus 로고    scopus 로고
    • A three binding site hypothesis for the interaction of ligands with monoamine G protein-coupled receptors: Implications for combinatorial ligand design
    • Jacoby, E.; Fauchère, J. L.; Raimbaud, E.; Ollivier, E.; Michel, A. et al. A Three Binding Site Hypothesis for the Interaction of Ligands with Monoamine G Protein-coupled Receptors: Implications for Combinatorial Ligand Design. Quant. Struct.-Act. Relat. 1999, 18, 561-572.
    • (1999) Quant. Struct.-Act. Relat. , vol.18 , pp. 561-572
    • Jacoby, E.1    Fauchère, J.L.2    Raimbaud, E.3    Ollivier, E.4    Michel, A.5
  • 6
    • 0034878886 scopus 로고    scopus 로고
    • A novel chemogenomics knowledge-based ligand design strategy - Application to G protein-coupled receptors
    • Jacoby, E. A Novel Chemogenomics Knowledge-Based Ligand Design Strategy - Application to G Protein-Coupled Receptors. Quant. Struct.-Act. Relat. 2001, 20, 115-123.
    • (2001) Quant. Struct.-Act. Relat. , vol.20 , pp. 115-123
    • Jacoby, E.1
  • 8
    • 0028787944 scopus 로고
    • Identification of a critical aspartate residue in transmembrane domain three necessary for the binding of somatostatin to the somatostatin receptor SSTR2
    • Strnad, J.; Hadcock, J. R. Identification of a critical aspartate residue in transmembrane domain three necessary for the binding of somatostatin to the somatostatin receptor SSTR2. Biochem. Biophys. Res. Commun. 1995, 216, 913-921.
    • (1995) Biochem. Biophys. Res. Commun. , vol.216 , pp. 913-921
    • Strnad, J.1    Hadcock, J.R.2
  • 9
    • 0034682767 scopus 로고    scopus 로고
    • Identification of the binding site for a novel class of CCR2b chemokine receptor antagonists: Binding to a common chemokine receptor motif within the helical bundle
    • Mirzadegan, T.; Diehl, F.; Ebi, B.; Bhakta, S.; Polsky, I. et al. Identification of the binding site for a novel class of CCR2b chemokine receptor antagonists: binding to a common chemokine receptor motif within the helical bundle. J. Biol. Chem. 2000, 275, 25562-25571.
    • (2000) J. Biol. Chem. , vol.275 , pp. 25562-25571
    • Mirzadegan, T.1    Diehl, F.2    Ebi, B.3    Bhakta, S.4    Polsky, I.5
  • 10
    • 0032559887 scopus 로고    scopus 로고
    • Human P2Y1 receptor: Molecular modeling and site-directed mutagenesis as tools to identify agonist and antagonist recognition sites
    • Moro, S.; Guo, D.; Camaioni, E.; Boyer, J. L.; Harden, T. K. et al. Human P2Y1 receptor: molecular modeling and site-directed mutagenesis as tools to identify agonist and antagonist recognition sites. J. Med. Chem. 1998, 41, 1456-1466.
    • (1998) J. Med. Chem. , vol.41 , pp. 1456-1466
    • Moro, S.1    Guo, D.2    Camaioni, E.3    Boyer, J.L.4    Harden, T.K.5
  • 11
    • 0028261434 scopus 로고
    • Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors
    • Roth, B. L.; Craigo, S. C.; Choudhary, M. S.; Uluer, A.; Monsma, F. J., Jr. et al. Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J. Pharmacol. Exp. Ther. 1994, 265, 1403-1410.
    • (1994) J. Pharmacol. Exp. Ther. , vol.265 , pp. 1403-1410
    • Roth, B.L.1    Craigo, S.C.2    Choudhary, M.S.3    Uluer, A.4    Monsma Jr., F.J.5
  • 12
    • 0034134233 scopus 로고    scopus 로고
    • E. 5-HT7 receptors: Current knowledge and future prospects
    • Vanhoenacker, P.; Haegeman, G.; Leysen, J. E. 5-HT7 receptors: current knowledge and future prospects. Trends Pharmacol. Sci. 2000, 21, 70-77.
    • (2000) Trends Pharmacol. Sci. , vol.21 , pp. 70-77
    • Vanhoenacker, P.1    Haegeman, G.2    Leysen, J.3
  • 13
    • 0036547431 scopus 로고    scopus 로고
    • Translational and transcriptional inhibitors block serotonergic phase advances of the suprachiasmatic nucleus circadian pacemaker in vitro
    • Jovanovska, A.; Prosser, R. A. Translational and transcriptional inhibitors block serotonergic phase advances of the suprachiasmatic nucleus circadian pacemaker in vitro. J. Biol. Rhythms 2002, 17, 137-146.
    • (2002) J. Biol. Rhythms , vol.17 , pp. 137-146
    • Jovanovska, A.1    Prosser, R.A.2
  • 14
    • 0036035130 scopus 로고    scopus 로고
    • An introduction to migraine: From ancient treatment to functional pharmacology and antimigraine therapy
    • Villalon, C. M.; Centurion, D.; Valdivia, L. F.; De Vries, P.; Saxena, P. R. An introduction to migraine: from ancient treatment to functional pharmacology and antimigraine therapy. Proc. West Pharmacol Soc. 2002, 45, 199-210.
    • (2002) Proc. West Pharmacol Soc. , vol.45 , pp. 199-210
    • Villalon, C.M.1    Centurion, D.2    Valdivia, L.F.3    De Vries, P.4    Saxena, P.R.5
  • 15
    • 10044236274 scopus 로고    scopus 로고
    • Molsoft LLC, San Diego, CA
    • ICM version 3; Molsoft LLC, San Diego, CA.
    • ICM Version 3
  • 16
    • 0031296786 scopus 로고    scopus 로고
    • Homology modeling with internal coordinate mechanics: Deformation zone mapping and improvements of models via conformational search
    • Abagyan, R.; Batalov, S.; Cardozo, T.; Totrov, M.; Webber, J. et al. Homology modeling with internal coordinate mechanics: deformation zone mapping and improvements of models via conformational search. Proteins 1997, Suppl, 29-37.
    • (1997) Proteins , Issue.SUPPL. , pp. 29-37
    • Abagyan, R.1    Batalov, S.2    Cardozo, T.3    Totrov, M.4    Webber, J.5
  • 17
    • 0028849881 scopus 로고
    • Homology modeling by the ICM method
    • Cardozo, T.; Totrov, M.; Abagyan, R. Homology modeling by the ICM method. Proteins 1995, 23, 403-414.
    • (1995) Proteins , vol.23 , pp. 403-414
    • Cardozo, T.1    Totrov, M.2    Abagyan, R.3
  • 18
    • 10044242209 scopus 로고    scopus 로고
    • Personal communication, Torsten Sejlitz
    • Personal communication, Torsten Sejlitz.
  • 19
    • 0031574072 scopus 로고    scopus 로고
    • The CLUSTAL_X windows interface: Flexible strategies for multiple sequence alignment aided by quality analysis tools
    • Thompson, J. D.; Gibson, T. J.; Plewniak, F.; Jeanmougin, F.; Higgins, D. G. The CLUSTAL_X windows interface: flexible strategies for multiple sequence alignment aided by quality analysis tools. Nucleic Acids Res. 1997, 25, 4876-4882.
    • (1997) Nucleic Acids Res. , vol.25 , pp. 4876-4882
    • Thompson, J.D.1    Gibson, T.J.2    Plewniak, F.3    Jeanmougin, F.4    Higgins, D.G.5
  • 20
    • 0023786564 scopus 로고
    • The genomic clone G-21 which resembles a beta-adernergic receptor sequence encodes the 5-HT1A receptor
    • Fargin, A.; Raymond, J. R.; Lohse, M. J.; Kobilka, B. K.; Caron, M. G. et al. The genomic clone G-21 which resembles a beta-adernergic receptor sequence encodes the 5-HT1A receptor. Nature 1988, 335, 358-360.
    • (1988) Nature , vol.335 , pp. 358-360
    • Fargin, A.1    Raymond, J.R.2    Lohse, M.J.3    Kobilka, B.K.4    Caron, M.G.5
  • 21
    • 0027421620 scopus 로고
    • Cloning of a novel human serotonin receptor (5-HT7) positively linked to adenylate cyclase
    • Bard, J. A.; Zgombick, J.; Adham, N.; Vaysse, P.; Branchek, T. A. et al. Cloning of a novel human serotonin receptor (5-HT7) positively linked to adenylate cyclase. J. Biol. Chem. 1993, 268, 23422-23426.
    • (1993) J. Biol. Chem. , vol.268 , pp. 23422-23426
    • Bard, J.A.1    Zgombick, J.2    Adham, N.3    Vaysse, P.4    Branchek, T.A.5
  • 22
    • 0036857358 scopus 로고    scopus 로고
    • QuickTree: Building huge neighbour-joining trees of protein sequences
    • Howe, K.; Bateman, A.; Durbin, R. QuickTree: building huge Neighbour-Joining trees of protein sequences. Bioinformatics 2002, 18, 1546-1547.
    • (2002) Bioinformatics , vol.18 , pp. 1546-1547
    • Howe, K.1    Bateman, A.2    Durbin, R.3
  • 23
    • 10044248054 scopus 로고    scopus 로고
    • Tripos Inc., 1699 South Hanley Rd, St. Louis, MO, 63144
    • UNITY, version 4.3; Tripos Inc., 1699 South Hanley Rd, St. Louis, MO, 63144.
    • UNITY, Version 4.3
  • 24
    • 10044298093 scopus 로고    scopus 로고
    • LEGION; Tripos Inc., 1699 South Hanley Rd, St. Louis, MO, 63144
    • LEGION; Tripos Inc., 1699 South Hanley Rd, St. Louis, MO, 63144.
  • 25
    • 10044250814 scopus 로고    scopus 로고
    • ChemEnlighten; Tripos Inc., 1699 South Hanley Rd, St. Louis, MO
    • ChemEnlighten; Tripos Inc., 1699 South Hanley Rd, St. Louis, MO.
  • 26
    • 10044228061 scopus 로고    scopus 로고
    • SIMCA-P+; Umetrics AB, Sweden
    • SIMCA-P+; Umetrics AB, Sweden.
  • 27
    • 0037434593 scopus 로고    scopus 로고
    • Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1- piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands
    • Perrone, R.; Berardi, F.; Colabufo, N. A.; Lacivita, E.; Leopolde, M. et al. Synthesis and structure-affinity relationships of 1-[omega-(4-aryl-1- piperazinyl)alkyl]-1-aryl ketones as 5-HT(7) receptor ligands. J. Med. Chem. 2003, 46, 646-649.
    • (2003) J. Med. Chem. , vol.46 , pp. 646-649
    • Perrone, R.1    Berardi, F.2    Colabufo, N.A.3    Lacivita, E.4    Leopolde, M.5
  • 28
    • 10744231657 scopus 로고    scopus 로고
    • A novel selective 5-HT7 receptor antagonist, modulates REM sleep in rats
    • SB-656104-A
    • Thomas, D. R.; Melotto, S.; Massagrande, M.; Cribble, A. D.; Jeffrey, P. et al. SB-656104-A, a novel selective 5-HT7 receptor antagonist, modulates REM sleep in rats. Br. J. Pharmacol. 2003, 139, 705-714.
    • (2003) Br. J. Pharmacol. , vol.139 , pp. 705-714
    • Thomas, D.R.1    Melotto, S.2    Massagrande, M.3    Cribble, A.D.4    Jeffrey, P.5
  • 29
    • 0034070287 scopus 로고    scopus 로고
    • Characterization of SB-269970-A, a selective 5-HT(7) receptor antagonist
    • Hagan, J. J.; Price, G. W.; Jeffrey, P.; Deeks, N. J.; Stean, T. et al. Characterization of SB-269970-A, a selective 5-HT(7) receptor antagonist. Br. J. Pharmacol. 2000, 130, 539-548.
    • (2000) Br. J. Pharmacol. , vol.130 , pp. 539-548
    • Hagan, J.J.1    Price, G.W.2    Jeffrey, P.3    Deeks, N.J.4    Stean, T.5
  • 30
    • 0034628555 scopus 로고    scopus 로고
    • A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4- methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol (SB-269970)
    • Lovell, P. J.; Bromidge, S. M.; Dabbs, S.; Duckworth, D. M.; Forbes, I. T. et al. A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol (SB-269970). J. Med. Chem. 2000, 43, 342-345.
    • (2000) J. Med. Chem. , vol.43 , pp. 342-345
    • Lovell, P.J.1    Bromidge, S.M.2    Dabbs, S.3    Duckworth, D.M.4    Forbes, I.T.5
  • 31
    • 0037212109 scopus 로고    scopus 로고
    • Discovery of a series of (4,5-dihydroimidazol-2-yl)-biphenylamine 5-HT7 agonists
    • Parikh, V.; Welch, W. M.; Schmidt, A. W. Discovery of a series of (4,5-dihydroimidazol-2-yl)-biphenylamine 5-HT7 agonists. Bioorg. Med. Chem. Lett. 2003, 13, 269-271.
    • (2003) Bioorg. Med. Chem. Lett. , vol.13 , pp. 269-271
    • Parikh, V.1    Welch, W.M.2    Schmidt, A.W.3
  • 32
    • 0035953317 scopus 로고    scopus 로고
    • Atropisomeric derivatives of 2′,6′-disubstituted (R)-11-phenylaporphine: Selective serotonin 5-HT(7) receptor antagonists
    • Linnanen, T.; Brisander, M.; Unelius, L.; Rosqvist, S.; Nordvall, G. et al. Atropisomeric derivatives of 2′,6′-disubstituted (R)-11-phenylaporphine: selective serotonin 5-HT(7) receptor antagonists. J. Med. Chem. 2001, 44, 1337-1340.
    • (2001) J. Med. Chem. , vol.44 , pp. 1337-1340
    • Linnanen, T.1    Brisander, M.2    Unelius, L.3    Rosqvist, S.4    Nordvall, G.5
  • 33
    • 0035847673 scopus 로고    scopus 로고
    • Serotonergic and dopaminergic activities of rigidified (R)-aporphine derivatives
    • Linnanen, T.; Brisander, M.; Mohell, N.; Johansson, A. M. Serotonergic and dopaminergic activities of rigidified (R)-aporphine derivatives. Bioorg. Med. Chem. Lett. 2001, 11, 367-370.
    • (2001) Bioorg. Med. Chem. Lett. , vol.11 , pp. 367-370
    • Linnanen, T.1    Brisander, M.2    Mohell, N.3    Johansson, A.M.4
  • 34
    • 0037161613 scopus 로고    scopus 로고
    • 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetranydrobenzindole derivatives: New selective antagonists of the 5-hydroxytryptamine7 receptor
    • Kikuchi, C.; Ando, T.; Watanabe, T.; Nagaso, H.; Okuno, M. et al. 2a-[4-(Tetrahydropyridoindol-2-yl)butyl]tetranydrobenzindole derivatives: new selective antagonists of the 5-hydroxytryptamine7 receptor. J. Med. Chem. 2002, 45, 2197-2206.
    • (2002) J. Med. Chem. , vol.45 , pp. 2197-2206
    • Kikuchi, C.1    Ando, T.2    Watanabe, T.3    Nagaso, H.4    Okuno, M.5
  • 35
    • 0037421025 scopus 로고    scopus 로고
    • New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased in vitro metabolic stability
    • Kikuchi, C.; Suzuki, H.; Hiranuma, T.; Koyama, M. New tetrahydrobenzindoles as potent and selective 5-HT(7) antagonists with increased In vitro metabolic stability. Bioorg. Med. Chem. Lett. 2003, 13, 61-64.
    • (2003) Bioorg. Med. Chem. Lett. , vol.13 , pp. 61-64
    • Kikuchi, C.1    Suzuki, H.2    Hiranuma, T.3    Koyama, M.4
  • 36
    • 18644367263 scopus 로고    scopus 로고
    • SB-656104-A: A novel 5-HT(7) receptor antagonist with improved in vivo properties. Bioorg
    • Forbes, I. T.; Douglas, S.; Gribble, A. D.; Ife, R. J.; Lightfoot, A. P. et al. SB-656104-A: a novel 5-HT(7) receptor antagonist with improved in vivo properties. Bioorg. Med. Chem. Lett. 2002, 12, 3341-3344.
    • (2002) Med. Chem. Lett. , vol.12 , pp. 3341-3344
    • Forbes, I.T.1    Douglas, S.2    Gribble, A.D.3    Ife, R.J.4    Lightfoot, A.P.5
  • 38
    • 10044242210 scopus 로고    scopus 로고
    • Glide; Schrodinger, 1500 SW First Avenue, Suite 1180, Portland, OR 97201
    • Glide; Schrodinger, 1500 SW First Avenue, Suite 1180, Portland, OR 97201.
  • 39
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
    • Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids. J. Am. Chem. Soc. 1996, 118, 11225-11236.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 40
    • 0346731233 scopus 로고    scopus 로고
    • Multiple active site corrections for docking and virtual screening
    • Vigers, G. P.; Rizzi, J. P. Multiple active site corrections for docking and virtual screening. J. Med. Chem. 2004, 47, 80-89.
    • (2004) J. Med. Chem. , vol.47 , pp. 80-89
    • Vigers, G.P.1    Rizzi, J.P.2
  • 41
    • 0029444383 scopus 로고
    • A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
    • Jones, G.; Willett, P.; Glen, R. C. A genetic algorithm for flexible molecular overlay and pharmacophore elucidation. J. Comput.-Aided Mol. Des. 1995, 9, 532-549.
    • (1995) J. Comput.-aided Mol. Des. , vol.9 , pp. 532-549
    • Jones, G.1    Willett, P.2    Glen, R.C.3
  • 42
    • 10744229658 scopus 로고    scopus 로고
    • Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives
    • Lopez-Rodriguez, M. L.; Porras, E.; Morcillo, M. J.; Benhamu, B.; Soto, L. J. et al. Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. J. Med. Chem. 2003, 46, 5638-5650.
    • (2003) J. Med. Chem. , vol.46 , pp. 5638-5650
    • Lopez-Rodriguez, M.L.1    Porras, E.2    Morcillo, M.J.3    Benhamu, B.4    Soto, L.J.5
  • 43
    • 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
    • Vermeulen, E. S.; Schmidt, A. W.; Sprouse, J. S.; Wikstrom, H. V.; Grol, C. J. 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. 2003, 46, 5365-5374.
    • (2003) J. Med. Chem. , vol.46 , pp. 5365-5374
    • Vermeulen, E.S.1    Schmidt, A.W.2    Sprouse, J.S.3    Wikstrom, H.V.4    Grol, C.J.5
  • 44
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 2001, 46, 3-26.
    • (2001) Adv. Drug Deliv. Rev. , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 46
    • 0034948696 scopus 로고    scopus 로고
    • A. Structural mimicry in G protein-coupled receptors: Implications of the high-resolution structure 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 structure 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.3
  • 47
    • 0037963157 scopus 로고    scopus 로고
    • A. Structure-based identification of binding sites, native ligands and potential inhibitors for G-protein coupled receptors
    • Cavasotto, C. N.; Orry, A. J.; Abagyan, R. A. Structure-based identification of binding sites, native ligands and potential inhibitors for G-protein coupled receptors. Proteins 2003, 51, 423-433.
    • (2003) Proteins , vol.51 , pp. 423-433
    • Cavasotto, C.N.1    Orry, A.J.2    Abagyan, R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.