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Volumn 3, Issue 6, 2011, Pages 665-681

Molecular dynamics simulations and docking studies on 3D models of the heterodimeric and homodimeric 5-HT2A receptor subtype

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE A2 RECEPTOR; ALPHA 1 ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR; CHEMOKINE RECEPTOR CXCR4; DOPAMINE 3 RECEPTOR; HETERODIMER; HOMODIMER; MONOMER; RECEPTOR SUBTYPE; RHODOPSIN; SEROTONIN 2A AGONIST; SEROTONIN 2A ANTAGONIST; SEROTONIN 2A RECEPTOR;

EID: 79955965790     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.11.27     Document Type: Article
Times cited : (14)

References (48)
  • 1
    • 72449193715 scopus 로고    scopus 로고
    • The role of dimerisation in the cellular trafficking of G-protein-coupled receptors
    • Milligan G. The role of dimerisation in the cellular trafficking of G-protein-coupled receptors. Curr. Opin. Pharmacol. 10(1), 23-29 (2010).
    • (2010) Curr. Opin. Pharmacol. , vol.10 , Issue.1 , pp. 23-29
    • Milligan, G.1
  • 2
    • 77955874300 scopus 로고    scopus 로고
    • Time-resolved FRET between GPCR ligands reveals oligomeric in native tissues
    • Albizu L, Cottet M, Kralikova M et al. Time-resolved FRET between GPCR ligands reveals oligomeric in native tissues. Nat. Chem. Biol. 6(8), 587-594 (2010).
    • (2010) Nat. Chem. Biol. , vol.6 , Issue.8 , pp. 587-594
    • Albizu, L.1    Cottet, M.2    Kralikova, M.3
  • 4
    • 85027927015 scopus 로고    scopus 로고
    • Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists
    • Wu B, Chien EY, Mol CD et al. Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science 330(6007), 1066-1071 (2010).
    • (2010) Science , vol.330 , Issue.6007 , pp. 1066-1071
    • Wu, B.1    Chien, E.Y.2    Mol, C.D.3
  • 5
    • 72449150733 scopus 로고    scopus 로고
    • Bioinformatics and molecular modelling approaches to GPCR aligomerization
    • Simpson LM, Taddese B, Wall ID, Reynolds CA. Bioinformatics and molecular modelling approaches to GPCR aligomerization. Curr. Opin. Pharmacol. 10(1), 30-37 (2010).
    • (2010) Curr. Opin. Pharmacol. , vol.10 , Issue.1 , pp. 30-37
    • Simpson, L.M.1    Taddese, B.2    Wall, I.D.3    Reynolds, C.A.4
  • 6
    • 78650147139 scopus 로고    scopus 로고
    • Allostery at G protein-coupled receptor homo-and heteromers: Uncharted pharmacological landscapes
    • Smith NJ, Milligan G. Allostery at G protein-coupled receptor homo- and heteromers: uncharted pharmacological landscapes. Pharmacol. Rev. 62(4), 701-725 (2010).
    • (2010) Pharmacol. Rev. , vol.62 , Issue.4 , pp. 701-725
    • Smith, N.J.1    Milligan, G.2
  • 8
    • 29144460257 scopus 로고    scopus 로고
    • 2A receptor agonists
    • DOI 10.1111/j.1471-4159.2005.03477.x
    • Parrish JC, Braden MR, Gundy E, Nichols DE. Differential phospholipase C activation by phenylalkylamine serotonin 5-HT2A receptor agonists. J. Neurochem. 95(6), 1575-1584 (2005). (Pubitemid 41804055)
    • (2005) Journal of Neurochemistry , vol.95 , Issue.6 , pp. 1575-1584
    • Parrish, J.C.1    Braden, M.R.2    Gundy, E.3    Nichols, D.E.4
  • 10
    • 65649143515 scopus 로고    scopus 로고
    • Agonist-trafficking and hallucinogens
    • González-Maeso J, Sealfon SC. Agonist-trafficking and hallucinogens. Curr. Med. Chem. 16(8), 1017-1027 (2009).
    • (2009) Curr. Med. Chem. , vol.16 , Issue.8 , pp. 1017-1027
    • González-Maeso, J.1    Sealfon, S.C.2
  • 13
    • 66849093630 scopus 로고    scopus 로고
    • Evidence for distinct antagonist-revealed functional states of 5-hydroxytryptamine 2A receptor homodimers
    • Brea J, Castro M, Giraldo J et al. Evidence for distinct antagonist-revealed functional states of 5-hydroxytryptamine(2A) receptor homodimers. Mol. Pharmacol. 75(6), 1380-1391 (2009).
    • (2009) Mol. Pharmacol. , vol.75 , Issue.6 , pp. 1380-1391
    • Brea, J.1    Castro, M.2    Giraldo, J.3
  • 14
    • 65549121608 scopus 로고    scopus 로고
    • Modelling the interdependence between the stoichiometry of receptor oligomerization and ligand binding for a coexisting dimmer tetramer receptor system
    • Rovira X, Vivó M, Serra J, Roche D, Strange PG, Giraldo J. Modelling the interdependence between the stoichiometry of receptor oligomerization and ligand binding for a coexisting dimer/tetramer receptor system. Br. J. Pharmacol. 156(1), 28-35 (2009).
    • (2009) Br. J. Pharmacol. , vol.156 , Issue.1 , pp. 28-35
    • Rovira, X.1    Vivó, M.2    Serra, J.3    Roche, D.4    Strange, P.G.5    Giraldo, J.6
  • 15
    • 77952003777 scopus 로고    scopus 로고
    • Homology modeling and docking evaluation of aminergic G protein-coupled receptors
    • McRobb FM, Capuano B, Crosby IT et al. Homology Modeling and docking evaluation of aminergic G protein-coupled receptors. J. Chem. Inf. Model. 50(4), 626-637 (2010).
    • (2010) J. Chem. Inf. Model. , vol.50 , Issue.4 , pp. 626-637
    • McRobb, F.M.1    Capuano, B.2    Crosby, I.T.3
  • 16
    • 53549107953 scopus 로고    scopus 로고
    • Multi-receptor binding profile of clozapine and olonzapine: A structural study based on the new beta2 adrenergic receptor template
    • Selent J, Lopez L, Sanz F, Pastor M. Multi-receptor binding profile of clozapine and olonzapine: a structural study based on the new beta2 adrenergic receptor template. ChemMedChem 3(8), 1194-1198 (2008).
    • (2008) Chem. Med. Chem. , vol.3 , Issue.8 , pp. 1194-1198
    • Selent, J.1    Lopez, L.2    Sanz, F.3    Pastor, M.4
  • 17
    • 67650089750 scopus 로고    scopus 로고
    • 2A complex an atomistic resolution study of a potential new target in psychiatric conditions
    • 2A complex. An atomistic resolution study of a potential new target in psychiatric conditions. J. Chem. Inf. Model. 49(6), 1602-1616 (2009).
    • (2009) J. Chem. Inf. Model. , vol.49 , Issue.6 , pp. 1602-1616
    • Bruno, A.1    Guadix, A.E.2    Costantino, G.3
  • 19
    • 36649006642 scopus 로고    scopus 로고
    • Clustering molecular dynamics trajectories: 1 characterizing the performance of different clustering algorithms
    • Shao J, Tanner SW, Thompson N, Cheatham TE III. Clustering molecular dynamics trajectories: 1. Characterizing the performance of different clustering algorithms. J. Chem. Theory Comput. 3(6), 2312-2334 (2007).
    • (2007) J. Chem. Theory Comput. , vol.3 , Issue.6 , pp. 2312-2334
    • Shao, J.1    Tanner, S.W.2    Thompson, N.3    Cheatham III, T.E.4
  • 20
    • 78349305715 scopus 로고    scopus 로고
    • Dynamics and flexibility of G-protein-coupled receptor conformations and their relevance to drug design
    • Vaidehi N. Dynamics and flexibility of G-protein-coupled receptor conformations and their relevance to drug design. Drug Discov. Today 15(21-22), 951-957 (2010).
    • (2010) Drug Discov. Today , vol.15 , Issue.21-22 , pp. 951-957
    • Vaidehi, N.1
  • 21
    • 50249114683 scopus 로고    scopus 로고
    • An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
    • Amaro R, Baron R, McCammon JA. An improved relaxed complex scheme for receptor flexibility in computer-aided drug design. J. Comput. Aided Mol. Des. 22(9), 693-705 (2008).
    • (2008) J. Comput. Aided Mol. Des. , vol.22 , Issue.9 , pp. 693-705
    • Amaro, R.1    Baron, R.2    McCammon, J.A.3
  • 22
    • 41149173662 scopus 로고    scopus 로고
    • Advances in the development and application of computational methodologies for structural modeling of G-protein-coupled receptors
    • DOI 10.1517/17460441.3.3.343
    • Mobarec JC, Filizola M. Advanced in the development and application of computational methodologies for structural modeling of G-protein coupled receptors. Expert Opin. Drug Discov. 3(3), 343-355 (2008). (Pubitemid 351425377)
    • (2008) Expert Opinion on Drug Discovery , vol.3 , Issue.3 , pp. 343-355
    • Mobarec, J.C.1    Filizola, M.2
  • 23
    • 41949132916 scopus 로고    scopus 로고
    • Flexible ligand docking to multiple receptor conformations: A practical alternative
    • Totrov M, Abagyan R. Flexible ligand docking to multiple receptor conformations: a practical alternative. Curr. Opin. Struct. Biol. 18(2), 178-184 (2008).
    • (2008) Curr. Opin. Struct. Biol. , vol.18 , Issue.2 , pp. 178-184
    • Totrov, M.1    Abagyan, R.2
  • 25
    • 0030742276 scopus 로고    scopus 로고
    • Identification of conserved aromatic residues essential for agonist binding and second messenger production at 5-hydroxytryptamine(2A) receptors
    • Roth BL, Shoham M, Choudhary MS, Khan N. Identification of conserved residues essential for agonist binding and second messenger production at 5-hydroxytriptamine2A receptors. Mol. Pharmacol. 52(2), 259-266 (1997). (Pubitemid 27349617)
    • (1997) Molecular Pharmacology , vol.52 , Issue.2 , pp. 259-266
    • Roth, B.L.1    Shoham, M.2    Choudhary, M.S.3    Khan, N.4
  • 26
    • 0031595265 scopus 로고    scopus 로고
    • 2-family receptors (5-hydroxytryptamine(2A) , 5-hydroxytryptamine(2B), 5-hydroxytryptamine(2C): Where structure meets function
    • DOI 10.1016/S0163-7258(98)00019-9, PII S0163725898000199
    • Roth BL, Willins DL, Kristiansen K, Kroeze WK. 5-hydroxytryptamine2- family receptors (5-hydroxytryptamine2A, 5-hydroxytryptamine2B, 5-hydroxytryptamine2C): where structure meets function. Pharmacol. Ther. 79(3), 231-257 (1998). (Pubitemid 28393877)
    • (1998) Pharmacology and Therapeutics , vol.79 , Issue.3 , pp. 231-257
    • Roth, B.L.1    Willins, D.L.2    Kristiansen, K.3    Kroeze, W.K.4
  • 27
    • 0033786003 scopus 로고    scopus 로고
    • Differential modes of agonist binding to 5-hydroxytryptamine 2A serotonin receptors revealed by mutation and molecular modeling of conserved residues in transmembrane region 5
    • Shapiro DA, Kristiansen K, Kroeze WK, Roth BL. Differential modes of agonist binding to 5-hydroxytryptamine(2A) serotonin receptors revealed by mutation and molecular modeling of conserved residues in transmembrane region 5. Mol. Pharmacol. 58(5), 877-886 (2000).
    • (2000) Mol. Pharmacol. , vol.58 , Issue.5 , pp. 877-886
    • Shapiro, D.A.1    Kristiansen, K.2    Kroeze, W.K.3    Roth, B.L.4
  • 28
    • 0034119969 scopus 로고    scopus 로고
    • A highly conserved aspartic acid Asp-155 anchors the terminal amine moiety of tryptamines and is involved in membrane targeting of the 5-HT 2A serotonin receptor but does not participate in activation via a salt-bridge disruption mechanism
    • Kristiansen K, Kroeze WK, Willins DL et al. A highly conserved aspartic acid (Asp-155) anchors the terminal amine moiety of tryptamines and is involved in membrane targeting of the 5-HT(2A) serotonin receptor but does not participate in activation via a "salt-bridge disruption" mechanism. J. Pharmacol. Exp. Ther. 293(3), 735-746 (2000).
    • (2000) J. Pharmacol. Exp. Ther. , vol.293 , Issue.3 , pp. 735-746
    • Kristiansen, K.1    Kroeze, W.K.2    Willins, D.L.3
  • 29
    • 0037222467 scopus 로고    scopus 로고
    • Molecular basis of partial agonism: Orientation of indoleamine ligands in the binding pocket of the human serotonin 5-HT2A receptor determines relative efficacy
    • DOI 10.1124/mol.63.1.36
    • Ebersole BJ, Visiers I, Weinstein H, Sealfon SC. Molecular basis of partial agonism: orientation of indoleamine ligands in the binding pocket of the human serotonin 5-HT2A receptor determines relative efficacy. Mol. Pharmacol. 63(1), 36-43 (2003). (Pubitemid 36043806)
    • (2003) Molecular Pharmacology , vol.63 , Issue.1 , pp. 36-43
    • Ebersole, B.J.1    Visiers, I.2    Weinstein, H.3    Sealfon, S.C.4
  • 31
    • 54849439730 scopus 로고    scopus 로고
    • Structure-activity relationship of phenylalkylamines as agonist ligand for 5-HT2A receptors
    • Blaazer AR, Smid P, Kruse CG. Structure- activity relationship of phenylalkylamines as agonist ligand for 5-HT2A receptors. ChemMedChem. 3(9), 1299-1309 (2008).
    • (2008) Chem. Med. Chem. , vol.3 , Issue.9 , pp. 1299-1309
    • Blaazer, A.R.1    Smid, P.2    Kruse, C.G.3
  • 32
    • 77957055780 scopus 로고
    • Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein coupled receptors
    • Ballestreros JA, Weinstein H. Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein coupled receptors. Methods Neurosci. 25, 366-428 (1995).
    • (1995) Methods Neurosci. , vol.25 , pp. 366-428
    • Ballestreros, J.A.1    Weinstein, H.2
  • 34
    • 0036202483 scopus 로고    scopus 로고
    • 2A receptor-stimulated phosphoinositide hydrolysis in the stimulus effects of hallucinogens
    • DOI 10.1016/S0091-3057(01)00720-1, PII S0091305701007201
    • Rabin RA, Regina M, Doat M, Winter JC. 5-HT2A receptor-stimulated phosphoinositide hydrolysis in the stimulus effects of hallucinogens. Pharmacol. Biochem. Behav. 72(1-2), 29-37 (2002). (Pubitemid 34251305)
    • (2002) Pharmacology Biochemistry and Behavior , vol.72 , Issue.1-2 , pp. 29-37
    • Rabin, R.A.1    Regina, M.2    Doat, M.3    Winter, J.C.4
  • 38
    • 0036257995 scopus 로고    scopus 로고
    • Atypical antipsychotics mechanism of action
    • Seeman P, Kapur S. Atypical antipsychotics. Mechanism of action. Br. J. Psychiatry. 180, 465-466 (2002).
    • (2002) Br. J. Psychiatry. , vol.180 , pp. 465-466
    • Seeman, P.1    Kapur, S.2
  • 39
    • 50849120686 scopus 로고    scopus 로고
    • 2C-VSV receptors mediated Gq 11 activation and calcium mobilisation in CHO cells
    • Cussac D, Boutet-Robinet E, Ailhaud MC et al. Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C- VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur. J. Pharmacol. 594(1-3), 32-38 (2008).
    • (2008) Eur. J. Pharmacol. , vol.594 , Issue.1-3 , pp. 32-38
    • Cussac, D.1    Boutet-Robinet, E.2    Ailhaud, M.C.3
  • 40
    • 0034711425 scopus 로고    scopus 로고
    • Binding of antipsychotic drugs to human brain receptors-focus on newer generation compounds
    • Richelson E, Souder T. Binding of antipsychotic drugs to human brain receptors - focus on newer generation compounds. Life Sci. 68(1), 29-39 (2000).
    • (2000) Life Sci. , vol.68 , Issue.1 , pp. 29-39
    • Richelson, E.1    Souder, T.2
  • 42
    • 78651411166 scopus 로고    scopus 로고
    • Structure of a nanobody-stabilized active state of the β2-adrenoceptor
    • Rasmussen SGF, Choi H-J, Fung JJ et al. Structure of a nanobody-stabilized active state of the β2-adrenoceptor. Nature 469(7329), 175-180 (2011).
    • (2011) Nature , vol.469 , Issue.7329 , pp. 175-180
    • Rasmussen, S.G.F.1    Choi, H.-J.2    Fung, J.J.3
  • 43
    • 78651399683 scopus 로고    scopus 로고
    • Structure and function of an irreversible agonist- β2-adrenoceptor complex
    • Rosembaum DM, Zhang C, Lyons JA et al. Structure and function of an irreversible agonist- β2-adrenoceptor complex. Nature 469(7329), 236-240 (2011).
    • (2011) Nature , vol.469 , Issue.7329 , pp. 236-240
    • Rosembaum, D.M.1    Zhang, C.2    Lyons, J.A.3
  • 44
    • 78651405537 scopus 로고    scopus 로고
    • The structural basis for agonist and partial agonist action on a b1-adrenergic receptor
    • Warne T, Moukhametzianov R, Baker JC et al. The structural basis for agonist and partial agonist action on a b1-adrenergic receptor. Nature 469(7329), 241-244 (2011).
    • (2011) Nature , vol.469 , Issue.7329 , pp. 241-244
    • Warne, T.1    Moukhametzianov, R.2    Baker, J.C.3
  • 45
    • 78449305788 scopus 로고    scopus 로고
    • Structure of the human dopamine D3 receptor in complex with a D2 D3 selective antagonist
    • Chien EY, Liu W, Zhao Q et al. Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist. Science 330(6007), 1091-1095 (2010).
    • (2010) Science , vol.330 , Issue.6007 , pp. 1091-1095
    • Chien, E.Y.1    Liu, W.2    Zhao, Q.3
  • 46
    • 43149103140 scopus 로고    scopus 로고
    • ROC analysis: Applications to the classification of biological sequences and 3D structures
    • DOI 10.1093/bib/bbm064
    • Sonego P, Kocsor A, Pongor S. ROC analysis: applications to the classification of biological sequences and 3D structures. Brief. Bioinformatics 9(3), 198-209 (2008). (Pubitemid 351637942)
    • (2008) Briefings in Bioinformatics , vol.9 , Issue.3 , pp. 198-209
    • Sonego, P.1    Kocsor, A.2    Pongor, S.3
  • 47
    • 33646934650 scopus 로고    scopus 로고
    • Computational methods in drug design: Modeling G protein-coupled receptor monomers dimers and oligomers
    • Reggio PH. Computational methods in drug design: modeling G protein-coupled receptor monomers, dimers, and oligomers. AAPS J. 8(2), E322-336 (2006).
    • (2006) AAPS J. , vol.8 , Issue.2
    • Reggio, P.H.1
  • 48
    • 42149181885 scopus 로고    scopus 로고
    • Structural diversity of G protein-coupled receptors and significance for drug discovery
    • Lagerstrom MC, Schioth HB. Structural diversity of G protein-coupled receptors and significance for drug discovery. Nat. Rev. Drug Discov. 7(4), 339-357 (2008).
    • (2008) Nat. Rev. Drug Discov. , vol.7 , Issue.4 , pp. 339-357
    • Lagerstrom, M.C.1    Schioth, H.B.2


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