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Volumn 22, Issue 8, 2014, Pages 1140-1151

Structure-based discovery of selective serotonin 5-HT1B receptor Ligands

Author keywords

[No Author keywords available]

Indexed keywords

ERGOTAMINE; GUANINE NUCLEOTIDE BINDING PROTEIN; LIGAND; SEROTONIN 1B RECEPTOR; SEROTONIN AGONIST; SUMATRIPTAN; TRYPTAMINE; CYCLIC AMP; SEROTONIN 1 AGONIST;

EID: 84905730759     PISSN: 09692126     EISSN: 18784186     Source Type: Journal    
DOI: 10.1016/j.str.2014.05.017     Document Type: Article
Times cited : (57)

References (60)
  • 1
    • 77957055780 scopus 로고
    • Integrated methods for the construction of three dimensional models and computational probing of structure-function relations in G-protein coupled receptors
    • J.A. Ballesteros, and H. Weinstein Integrated methods for the construction of three dimensional models and computational probing of structure-function relations in G-protein coupled receptors Methods Neurosci. 25 1995 366 428
    • (1995) Methods Neurosci. , vol.25 , pp. 366-428
    • Ballesteros, J.A.1    Weinstein, H.2
  • 4
    • 28644447577 scopus 로고    scopus 로고
    • Focused library design in GPCR projects on the example of 5-HT(2c) agonists: Comparison of structure-based virtual screening with ligand-based search methods
    • C. Bissantz, C. Schalon, W. Guba, and M. Stahl Focused library design in GPCR projects on the example of 5-HT(2c) agonists: comparison of structure-based virtual screening with ligand-based search methods Proteins Struct. Funct. Bioinf. 61 2005 938 952
    • (2005) Proteins Struct. Funct. Bioinf. , vol.61 , pp. 938-952
    • Bissantz, C.1    Schalon, C.2    Guba, W.3    Stahl, M.4
  • 8
    • 84905737163 scopus 로고    scopus 로고
    • Chem Axon 5.11.4
    • ChemAxon (2012). JChem 5.11.4 (http://www.chemaxon.com).
    • (2012) J Chem
  • 10
    • 50249156843 scopus 로고    scopus 로고
    • Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor
    • C. de Graaf, and D. Rognan Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor J. Med. Chem. 51 2008 4978 4985
    • (2008) J. Med. Chem. , vol.51 , pp. 4978-4985
    • De Graaf, C.1    Rognan, D.2
  • 11
    • 41149156578 scopus 로고    scopus 로고
    • Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening
    • C. de Graaf, N. Foata, O. Engkvist, and D. Rognan Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening Proteins Struct. Funct. Bioinf. 71 2008 599 620
    • (2008) Proteins Struct. Funct. Bioinf. , vol.71 , pp. 599-620
    • De Graaf, C.1    Foata, N.2    Engkvist, O.3    Rognan, D.4
  • 13
    • 13944255377 scopus 로고    scopus 로고
    • Structure-based drug discovery using GPCR homology modeling: Successful virtual screening for antagonists of the alpha1A adrenergic receptor
    • A. Evers, and T. Klabunde Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor J. Med. Chem. 48 2005 1088 1097
    • (2005) J. Med. Chem. , vol.48 , pp. 1088-1097
    • Evers, A.1    Klabunde, T.2
  • 16
    • 53149111135 scopus 로고    scopus 로고
    • Molecular biology of 5-HT receptors
    • J. Hannon, and D. Hoyer Molecular biology of 5-HT receptors Behav. Brain Res. 195 2008 198 213
    • (2008) Behav. Brain Res. , vol.195 , pp. 198-213
    • Hannon, J.1    Hoyer, D.2
  • 20
    • 67650239912 scopus 로고    scopus 로고
    • Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix v in agonist-specific conformational changes
    • V. Katritch, K.A. Reynolds, V. Cherezov, M.A. Hanson, C.B. Roth, M. Yeager, and R. Abagyan Analysis of full and partial agonists binding to beta2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes J. Mol. Recognit. 22 2009 307 318
    • (2009) J. Mol. Recognit. , vol.22 , pp. 307-318
    • Katritch, V.1    Reynolds, K.A.2    Cherezov, V.3    Hanson, M.A.4    Roth, C.B.5    Yeager, M.6    Abagyan, R.7
  • 22
    • 78149496978 scopus 로고    scopus 로고
    • Structure based prediction of subtype-selectivity for adenosine receptor antagonists
    • V. Katritch, I. Kufareva, and R. Abagyan Structure based prediction of subtype-selectivity for adenosine receptor antagonists Neuropharmacology 60 2011 108 115
    • (2011) Neuropharmacology , vol.60 , pp. 108-115
    • Katritch, V.1    Kufareva, I.2    Abagyan, R.3
  • 26
    • 84869840124 scopus 로고    scopus 로고
    • Limits of ligand selectivity from docking to models: In silico screening for A(1) adenosine receptor antagonists
    • P. Kolb, K. Phan, Z.G. Gao, A.C. Marko, A. Sali, and K.A. Jacobson Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists PLoS ONE 7 2012 e49910
    • (2012) PLoS ONE , vol.7 , pp. 49910
    • Kolb, P.1    Phan, K.2    Gao, Z.G.3    Marko, A.C.4    Sali, A.5    Jacobson, K.A.6
  • 27
    • 84873344962 scopus 로고    scopus 로고
    • From heptahelical bundle to hits from the Haystack: Structure-based virtual screening for GPCR ligands
    • A.J. Kooistra, L. Roumen, R. Leurs, I.J. de Esch, and C. de Graaf From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands Methods Enzymol. 522 2013 279 336
    • (2013) Methods Enzymol. , vol.522 , pp. 279-336
    • Kooistra, A.J.1    Roumen, L.2    Leurs, R.3    De Esch, I.J.4    De Graaf, C.5
  • 29
    • 80051521545 scopus 로고    scopus 로고
    • Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
    • GPCR Dock 2010 Participants
    • I. Kufareva, M. Rueda, V. Katritch, R.C. Stevens, R. Abagyan GPCR Dock 2010 Participants Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment Structure 19 2011 1108 1126
    • (2011) Structure , vol.19 , pp. 1108-1126
    • Kufareva, I.1    Rueda, M.2    Katritch, V.3    Stevens, R.C.4    Abagyan, R.5
  • 30
    • 84905732337 scopus 로고    scopus 로고
    • Advances in GPCR modeling evaluated by the GPCR dock 2013 assessment: Meeting new challenges
    • this issue
    • I. Kufareva, V. Katritch, R.C. Stevens, and Abagyan Advances in GPCR modeling evaluated by the GPCR dock 2013 assessment: meeting new challenges Structure 22 2014 1120 1139 this issue
    • (2014) Structure , vol.22 , pp. 1120-1139
    • Kufareva, I.1    Katritch, V.2    Stevens, R.C.3    Abagyan4
  • 34
    • 23844444239 scopus 로고    scopus 로고
    • Hierarchical docking of databases of multiple ligand conformations
    • D.M. Lorber, and B.K. Shoichet Hierarchical docking of databases of multiple ligand conformations Curr. Top. Med. Chem. 5 2005 739 749
    • (2005) Curr. Top. Med. Chem. , vol.5 , pp. 739-749
    • Lorber, D.M.1    Shoichet, B.K.2
  • 35
    • 67349088738 scopus 로고    scopus 로고
    • Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008
    • GPCR Dock 2008 participants
    • M. Michino, E. Abola, C.L. Brooks 3rd, J.S. Dixon, J. Moult, R.C. Stevens GPCR Dock 2008 participants Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008 Nat. Rev. Drug Discov. 8 2009 455 463
    • (2009) Nat. Rev. Drug Discov. , vol.8 , pp. 455-463
    • Michino, M.1    Abola, E.2    Brooks III, C.L.3    Dixon, J.S.4    Moult, J.5    Stevens, R.C.6
  • 36
    • 77957222180 scopus 로고    scopus 로고
    • Rapid context-dependent ligand desolvation in molecular docking
    • M.M. Mysinger, and B.K. Shoichet Rapid context-dependent ligand desolvation in molecular docking J. Chem. Inf. Model. 50 2010 1561 1573
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 1561-1573
    • Mysinger, M.M.1    Shoichet, B.K.2
  • 38
    • 84875475404 scopus 로고    scopus 로고
    • Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening
    • A. Negri, M.L. Rives, M.J. Caspers, T.E. Prisinzano, J.A. Javitch, and M. Filizola Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening J. Chem. Inf. Model. 53 2013 521 526
    • (2013) J. Chem. Inf. Model. , vol.53 , pp. 521-526
    • Negri, A.1    Rives, M.L.2    Caspers, M.J.3    Prisinzano, T.E.4    Javitch, J.A.5    Filizola, M.6
  • 39
    • 34247109045 scopus 로고    scopus 로고
    • Natural products as sources of new drugs over the last 25 years
    • D.J. Newman, and G.M. Cragg Natural products as sources of new drugs over the last 25 years J. Nat. Prod. 70 2007 461 477
    • (2007) J. Nat. Prod. , vol.70 , pp. 461-477
    • Newman, D.J.1    Cragg, G.M.2
  • 42
    • 84877820375 scopus 로고    scopus 로고
    • Computational approaches for ligand discovery and design in class-A G protein- coupled receptors
    • D. Rodríguez, and H. Gutiérrez-de-Terán Computational approaches for ligand discovery and design in class-A G protein- coupled receptors Curr. Pharm. Des. 19 2013 2216 2236
    • (2013) Curr. Pharm. Des. , vol.19 , pp. 2216-2236
    • Rodríguez, D.1    Gutiérrez-De-Terán, H.2
  • 43
    • 84905014930 scopus 로고    scopus 로고
    • Strategies for improved modeling of GPCR-drug complexes: Blind predictions of serotonin receptors bound to ergotamine
    • 10.1021/ci5002235
    • D. Rodríguez, A. Ranganathan, and J. Carlsson Strategies for improved modeling of GPCR-drug complexes: blind predictions of serotonin receptors bound to ergotamine J. Chem. Inf. Model 2014 10.1021/ci5002235
    • (2014) J. Chem. Inf. Model
    • Rodríguez, D.1    Ranganathan, A.2    Carlsson, J.3
  • 44
    • 0033861845 scopus 로고    scopus 로고
    • The multiplicity of serotonin receptors: Uselessly diverse molecules or an embarrassment of riches?
    • B.L. Roth, E. Lopez, S. Patel, and W.K. Kroeze The multiplicity of serotonin receptors: uselessly diverse molecules or an embarrassment of riches? Neuroscientist 6 2000 252 262
    • (2000) Neuroscientist , vol.6 , pp. 252-262
    • Roth, B.L.1    Lopez, E.2    Patel, S.3    Kroeze, W.K.4
  • 45
    • 0027136282 scopus 로고
    • Comparative protein modelling by satisfaction of spatial restraints
    • A. Sali, and T.L. Blundell Comparative protein modelling by satisfaction of spatial restraints J. Mol. Biol. 234 1993 779 815
    • (1993) J. Mol. Biol. , vol.234 , pp. 779-815
    • Sali, A.1    Blundell, T.L.2
  • 47
    • 53549107953 scopus 로고    scopus 로고
    • Multi-receptor binding profile of clozapine and olanzapine: A structural study based on the new beta2 adrenergic receptor template
    • J. Selent, L. López, F. Sanz, and M. Pastor Multi-receptor binding profile of clozapine and olanzapine: a structural study based on the new beta2 adrenergic receptor template ChemMedChem 3 2008 1194 1198
    • (2008) ChemMedChem , vol.3 , pp. 1194-1198
    • Selent, J.1    López, L.2    Sanz, F.3    Pastor, M.4
  • 48
    • 74549202822 scopus 로고    scopus 로고
    • A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints
    • J. Selent, A. Bauer-Mehren, L. López, M.I. Loza, F. Sanz, and M. Pastor A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints Mol. Pharmacol. 77 2010 149 158
    • (2010) Mol. Pharmacol. , vol.77 , pp. 149-158
    • Selent, J.1    Bauer-Mehren, A.2    López, L.3    Loza, M.I.4    Sanz, F.5    Pastor, M.6
  • 49
    • 33749578940 scopus 로고    scopus 로고
    • Statistical potential for assessment and prediction of protein structures
    • M.Y. Shen, and A. Sali Statistical potential for assessment and prediction of protein structures Protein Sci. 15 2006 2507 2524
    • (2006) Protein Sci. , vol.15 , pp. 2507-2524
    • Shen, M.Y.1    Sali, A.2
  • 50
    • 84860513814 scopus 로고    scopus 로고
    • Structure-based drug screening for G-protein-coupled receptors
    • B.K. Shoichet, and B.K. Kobilka Structure-based drug screening for G-protein-coupled receptors Trends Pharmacol. Sci. 33 2012 268 272
    • (2012) Trends Pharmacol. Sci. , vol.33 , pp. 268-272
    • Shoichet, B.K.1    Kobilka, B.K.2
  • 52
    • 0025815394 scopus 로고
    • Treatment of acute cluster headache with sumatriptan
    • The Sumatriptan Cluster Headache Study Group
    • The Sumatriptan Cluster Headache Study Group Treatment of acute cluster headache with sumatriptan N. Engl. J. Med. 325 1991 322 326
    • (1991) N. Engl. J. Med. , vol.325 , pp. 322-326
  • 53
    • 0141992809 scopus 로고    scopus 로고
    • Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: Discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach
    • J. Varady, X. Wu, X. Fang, J. Min, Z. Hu, B. Levant, and S. Wang Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach J. Med. Chem. 46 2003 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    Wang, S.7
  • 58
    • 84861064804 scopus 로고    scopus 로고
    • Crystal structures of a stabilized β1-adrenoceptor bound to the biased agonists bucindolol and carvedilol
    • T. Warne, P.C. Edwards, A.G. Leslie, and C.G. Tate Crystal structures of a stabilized β1-adrenoceptor bound to the biased agonists bucindolol and carvedilol Structure 20 2012 841 849
    • (2012) Structure , vol.20 , pp. 841-849
    • Warne, T.1    Edwards, P.C.2    Leslie, A.G.3    Tate, C.G.4
  • 59
    • 77956021620 scopus 로고    scopus 로고
    • Similarity-potency trees: A method to search for SAR information in compound data sets and derive SAR rules
    • M. Wawer, and J. Bajorath Similarity-potency trees: a method to search for SAR information in compound data sets and derive SAR rules J. Chem. Inf. Model. 50 2010 1395 1409
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 1395-1409
    • Wawer, M.1    Bajorath, J.2


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