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Volumn 43, Issue 5, 2011, Pages 400-408

Docking-based virtual screening of potential human P2Y12 receptor antagonists

Author keywords

anti coagulation; homology modeling; P2Y12; virtual screening

Indexed keywords

LIGAND; P2RY12 PROTEIN, HUMAN; PURINERGIC P2Y RECEPTOR ANTAGONIST; PURINERGIC P2Y12 RECEPTOR;

EID: 79955400687     PISSN: 16729145     EISSN: 17457270     Source Type: Journal    
DOI: 10.1093/abbs/gmr023     Document Type: Article
Times cited : (8)

References (53)
  • 1
    • 0036851876 scopus 로고    scopus 로고
    • Platelets in atherothrombosis
    • DOI 10.1038/nm1102-1227
    • Ruggeri ZM. Platelets in atherothrombosis. Nat Med 2002, 8: 1227-1234. (Pubitemid 35373553)
    • (2002) Nature Medicine , vol.8 , Issue.11 , pp. 1227-1234
    • Ruggeri, Z.M.1
  • 3
    • 0021244574 scopus 로고
    • Thrombosis and acute coronary-artery lesions in sudden cardiac ischemic death
    • Davies MJ and Thomas A. Thrombosis and acute coronary-artery lesions in sudden cardiac ischemic death. N Engl J Med 1984, 310: 1137-1140. (Pubitemid 14135387)
    • (1984) New England Journal of Medicine , vol.310 , Issue.18 , pp. 1137-1140
    • Davies, M.J.1    Thomas, A.2
  • 4
    • 0346367328 scopus 로고
    • Aggregation of blood platelets by adenosine diphosphate and its reversal
    • Born GV. Aggregation of blood platelets by adenosine diphosphate and its reversal. Nature 1962, 194: 927-929.
    • (1962) Nature , vol.194 , pp. 927-929
    • Born, G.V.1
  • 5
    • 0030610096 scopus 로고    scopus 로고
    • 2 production
    • Cattaneo M, Lombardi R, Zighetti ML, Gachet C, Ohlmann P, Cazenave JP and Mannucci PM. Deficiency of (33P)2MeS-ADP binding sites on platelets with secretion defect, normal granule stores and normal thromboxane A2 production. Evidence that ADP potentiates platelet secretion independently of the formation of large platelet aggregates and thromboxane A2 production. J Thromb Haemost 1997, 77: 986-990. (Pubitemid 27239127)
    • (1997) Thrombosis and Haemostasis , vol.77 , Issue.5 , pp. 986-990
    • Cattaneo, M.1    Lombardi, R.2    Zighetti, M.L.3    Gachet, C.4    Ohlmann, P.5    Cazenave, J.-P.6    Mannucci, P.M.7
  • 6
    • 0030470605 scopus 로고    scopus 로고
    • ADP receptors on platelets
    • Mills DC. ADP receptors on platelets. J Thromb Haemost 1996, 76: 835-856. (Pubitemid 27013617)
    • (1996) Thrombosis and Haemostasis , vol.76 , Issue.6 , pp. 835-856
    • Mills, D.C.B.1
  • 7
    • 0032488890 scopus 로고    scopus 로고
    • Role of P2Y1 purinoceptor in ADP-induced platelet activation
    • DOI 10.1016/S0014-5793(98)00025-8, PII S0014579398000258
    • Savi P, Beauverger P, Labouret C, Delfaud M, Salel V, Kaghad M and Herbert JM. Role of P2Y1 purinoceptor in ADP-induced platelet activation. FEBS Lett 1998, 422: 291-295. (Pubitemid 28075481)
    • (1998) FEBS Letters , vol.422 , Issue.3 , pp. 291-295
    • Savi, P.1    Beauverger, P.2    Labouret, C.3    Delfaud, M.4    Salel, V.5    Kaghad, M.6    Herbert, J.M.7
  • 11
    • 0031914973 scopus 로고    scopus 로고
    • Molecular basis for ADP-induced platelet activation: I. Evidence for three distinct ADP receptors on human platelets
    • DOI 10.1074/jbc.273.4.2024
    • Daniel JL, Dangelmaier C, Jin J, Ashby B, Smith JB and Kunapuli SP. Molecular basis for ADP-induced platelet activation. I. Evidence for three distinct ADP receptors on human platelets. J Biol Chem 1998, 273: 2024-2029. (Pubitemid 28069248)
    • (1998) Journal of Biological Chemistry , vol.273 , Issue.4 , pp. 2024-2029
    • Daniel, J.L.1    Dangelmaier, C.2    Jin, J.3    Ashby, B.4    Smith, J.B.5    Kunapuli, S.P.6
  • 12
    • 0031916728 scopus 로고    scopus 로고
    • Molecular basis for ADP-induced platelet activation: II. The P2Y1 receptor mediates ADP-induced intracellular calcium mobilization and shape change in platelets
    • DOI 10.1074/jbc.273.4.2030
    • Jin J, Daniel JL and Kunapuli SP. Molecular basis for ADP-induced platelet activation. II. The P2Y1 receptor mediates ADP-induced intracellular calcium mobilization and shape change in platelets. J Biol Chem 1998, 273: 2030-2034. (Pubitemid 28069249)
    • (1998) Journal of Biological Chemistry , vol.273 , Issue.4 , pp. 2030-2034
    • Jin, J.1    Daniel, J.L.2    Kunapuli, S.P.3
  • 14
    • 0032828089 scopus 로고    scopus 로고
    • Molecular mechanism of thromboxane A(2)-induced platelet aggregation. Essential role for p2t(ac) and alpha(2a) receptors
    • Paul BZ, Jin J and Kunapuli SP. Molecular mechanism of thromboxane A(2)-induced platelet aggregation. Essential role for p2t(ac) and alpha(2a) receptors. J Biol Chem 1999, 274: 29108-29114.
    • (1999) J Biol Chem , vol.274 , pp. 29108-29114
    • Paul, B.Z.1    Jin, J.2    Kunapuli, S.P.3
  • 18
    • 75749102996 scopus 로고    scopus 로고
    • Metabolism and disposition of the thienopyridine antiplatelet drugs ticlopidine, clopidogrel, and prasugrel in humans
    • Farid NA, Kurihara A and Wrighton SA. Metabolism and disposition of the thienopyridine antiplatelet drugs ticlopidine, clopidogrel, and prasugrel in humans. J Clin Pharmacol 2010, 50: 126-142.
    • (2010) J Clin Pharmacol , vol.50 , pp. 126-142
    • Farid, N.A.1    Kurihara, A.2    Wrighton, S.A.3
  • 19
    • 61349172986 scopus 로고    scopus 로고
    • Unmet needs in oral antiplatelet therapy with ADP receptor blocking agents
    • Husted S. Unmet needs in oral antiplatelet therapy with ADP receptor blocking agents. Fundam Clin Pharmacol 2009, 23: 1-9.
    • (2009) Fundam Clin Pharmacol , vol.23 , pp. 1-9
    • Husted, S.1
  • 20
    • 47649113839 scopus 로고    scopus 로고
    • Clinical overview of promising nonthienopyridine antiplatelet agents
    • Angiolillo DJ and Guzman LA. Clinical overview of promising nonthienopyridine antiplatelet agents. Am Heart J 2008, 156: 23-28.
    • (2008) Am Heart J , vol.156 , pp. 23-28
    • Angiolillo, D.J.1    Guzman, L.A.2
  • 21
    • 75949128633 scopus 로고    scopus 로고
    • Antiplatelet therapies for the treatment of cardiovascular disease
    • Michelson AD. Antiplatelet therapies for the treatment of cardiovascular disease. Nat Rev Drug Discov 2010, 9: 154-169.
    • (2010) Nat Rev Drug Discov , vol.9 , pp. 154-169
    • Michelson, A.D.1
  • 22
    • 3242813635 scopus 로고    scopus 로고
    • Utility of homology models in the drug discovery process
    • DOI 10.1016/S1359-6446(04)03196-4, PII S1359644604031964
    • Hillisch A, Pineda LF and Hilgenfeld R. Utility of homology models in the drug discovery process. Drug Discov Today 2004, 9: 659-669. (Pubitemid 38981720)
    • (2004) Drug Discovery Today , vol.9 , Issue.15 , pp. 659-669
    • Hillisch, A.1    Pineda, L.F.2    Hilgenfeld, R.3
  • 23
    • 8844263008 scopus 로고    scopus 로고
    • Docking and scoring in virtual screening for drug discovery: Methods and applications
    • DOI 10.1038/nrd1549
    • Kitchen DB, Decornez H, Furr JR and Bajorath J. Docking and scoring in virtual screening for drug discovery: methods and applications. Nat Rev Drug Discov 2004, 3: 935-949. (Pubitemid 39529931)
    • (2004) Nature Reviews Drug Discovery , vol.3 , Issue.11 , pp. 935-949
    • Kitchen, D.B.1    Decornez, H.2    Furr, J.R.3    Bajorath, J.4
  • 24
    • 34250895595 scopus 로고    scopus 로고
    • Molecular modeling of purinergic receptor P2Y12 and interaction with its antagonists
    • DOI 10.1016/j.jmgm.2006.09.006, PII S1093326306001240
    • Zhan C, Yang J, Dong XC and Wang YL. Molecular modeling of purinergic receptor P2Y12 and interaction with its antagonists. J Mol Graph 2007, 26: 20-31. (Pubitemid 46977248)
    • (2007) Journal of Molecular Graphics and Modelling , vol.26 , Issue.1 , pp. 20-31
    • Zhan, C.1    Yang, J.2    Dong, X.-C.3    Wang, Y.-L.4
  • 29
    • 0032961270 scopus 로고    scopus 로고
    • ESPript: Analysis of multiple sequence alignments in PostScript
    • DOI 10.1093/bioinformatics/15.4.305
    • Gouet P, Courcelle E, Stuart DI and Metoz F. ESPript: analysis of multiple sequence alignments in PostScript. Bioinformatics 1999, 15: 305-308. (Pubitemid 29213756)
    • (1999) Bioinformatics , vol.15 , Issue.4 , pp. 305-308
    • Gouet, P.1    Courcelle, E.2    Stuart, D.I.3    Metoz, F.4
  • 30
    • 0000243829 scopus 로고
    • PROCHECK: A program to check the stereochemical quality of protein structures
    • Laskowski RA, MacArthur MW, Moss DS and Thornton JM. PROCHECK: a program to check the stereochemical quality of protein structures. J Appl Crystallogr 1993, 26: 283-291.
    • (1993) J Appl Crystallogr , vol.26 , pp. 283-291
    • Laskowski, R.A.1    MacArthur, M.W.2    Moss, D.S.3    Thornton, J.M.4
  • 31
    • 33947304702 scopus 로고    scopus 로고
    • PyMOL: A communications tool for computational models
    • DeLano WL and Lam JW. PyMOL: a communications tool for computational models. Abstr Pap Am Chem Soc 2005, 230: 1371-1372.
    • (2005) Abstr Pap Am Chem Soc , vol.230 , pp. 1371-1372
    • Delano, W.L.1    Lam, J.W.2
  • 32
    • 84984766385 scopus 로고    scopus 로고
    • DATABASES Compound bioactivities go public
    • Bender A. DATABASES Compound bioactivities go public. Nat Chem Biol 2010, 6: 309.
    • (2010) Nat Chem Biol , vol.6 , pp. 309
    • Bender, A.1
  • 36
    • 0017429069 scopus 로고
    • Areas, volumes, packing, and protein-structure
    • Richards FM. Areas, volumes, packing, and protein-structure. Annu Rev Biophys Bioeng 1977, 6: 151-176.
    • (1977) Annu Rev Biophys Bioeng , vol.6 , pp. 151-176
    • Richards, F.M.1
  • 37
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A free database of commercially available compounds for virtual screening
    • DOI 10.1021/ci049714+
    • Irwin JJ and Shoichet BK. ZINC-a free database of commercially available compounds for virtual screening. J Chem Inf Model 2005, 45: 177-182. (Pubitemid 40736970)
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.1 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 40
    • 52749098733 scopus 로고    scopus 로고
    • Virtual screening of GPCRs: An in silico chemogenomics approach
    • Jacob L, Hoffmann B, Stoven V and Vert JP. Virtual screening of GPCRs: an in silico chemogenomics approach. BMC Bioinformatics 2008, 9: 363.
    • (2008) BMC Bioinformatics , vol.9 , pp. 363
    • Jacob, L.1    Hoffmann, B.2    Stoven, V.3    Vert, J.P.4
  • 41
    • 34548476934 scopus 로고    scopus 로고
    • Critical role for the second extracellular loop in the binding of both orthosteric and allosteric G protein-coupled receptor ligands
    • DOI 10.1074/jbc.M702311200
    • Avlani VA, Gregory KJ, Morton CJ, Parker MW, Sexton PM and Christopoulos A. Critical role for the second extracellular loop in the binding of both orthosteric and allosteric G protein-coupled receptor ligands. J Biol Chem 2007, 282: 25677-25686. (Pubitemid 47372845)
    • (2007) Journal of Biological Chemistry , vol.282 , Issue.35 , pp. 25677-25686
    • Avlani, V.A.1    Gregory, K.J.2    Morton, C.J.3    Parker, M.W.4    Sexton, P.M.5    Christopoulos, A.6
  • 43
    • 77955773829 scopus 로고    scopus 로고
    • Mutational analysis of residues important for ligand interaction with the human P2Y(12) receptor
    • Mao Y, Zhang L, Jin J, Ashby B and Kunapuli SP. Mutational analysis of residues important for ligand interaction with the human P2Y(12) receptor. Eur J Pharmacol 2010, 644: 10-16.
    • (2010) Eur J Pharmacol , vol.644 , pp. 10-16
    • Mao, Y.1    Zhang, L.2    Jin, J.3    Ashby, B.4    Kunapuli, S.P.5
  • 44
    • 0032735188 scopus 로고    scopus 로고
    • Modelling G-protein-coupled receptors for drug design
    • DOI 10.1016/S0304-4157(99)00006-4, PII S0304415799000064
    • Flower DR. Modelling G-protein-coupled receptors for drug design. Biochim Biophys Acta 1999, 1422: 207-234. (Pubitemid 29512378)
    • (1999) Biochimica et Biophysica Acta - Reviews on Biomembranes , vol.1422 , Issue.3 , pp. 207-234
    • Flower, D.R.1
  • 45
    • 33744761830 scopus 로고    scopus 로고
    • Homology modeling of G-Protein-Coupled receptors and implications in drug design
    • DOI 10.2174/092986706777442002
    • Patny A, Desai PV and Avery MA. Homology modeling of G-protein-coupled receptors and implications in drug design. Curr Med Chem 2006, 13: 1667-1691. (Pubitemid 43821698)
    • (2006) Current Medicinal Chemistry , vol.13 , Issue.14 , pp. 1667-1691
    • Patny, A.1    Desai, P.V.2    Avery, M.A.3
  • 47
    • 77950503976 scopus 로고    scopus 로고
    • Virtual screening: An endless staircase?
    • Schneider G. Virtual screening: an endless staircase? Nat Rev Drug Discov 2010, 9: 273-276.
    • (2010) Nat Rev Drug Discov , vol.9 , pp. 273-276
    • Schneider, G.1
  • 48
    • 11144323163 scopus 로고    scopus 로고
    • Virtual screening of chemical libraries
    • DOI 10.1038/nature03197
    • Shoichet BK. Virtual screening of chemical libraries. Nature 2004, 432: 862-865. (Pubitemid 40037142)
    • (2004) Nature , vol.432 , Issue.7019 , pp. 862-865
    • Shoichet, B.K.1
  • 49
    • 33745199815 scopus 로고    scopus 로고
    • Virtual ligand screening: Strategies, perspectives and limitations
    • Klebe G. Virtual ligand screening: strategies, perspectives and limitations. Drug Discov Today 2006, 11: 580-594.
    • (2006) Drug Discov Today , vol.11 , pp. 580-594
    • Klebe, G.1
  • 50
    • 0037235663 scopus 로고    scopus 로고
    • Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets?
    • DOI 10.1002/prot.10237
    • Bissantz C, Bernard P, Hibert M and Rognan D. Protein-based virtual screening of chemical databases. II. Are homology models of G-protein coupled receptors suitable targets? Proteins 2003, 50: 5-25. (Pubitemid 36090604)
    • (2003) Proteins: Structure, Function and Genetics , vol.50 , Issue.1 , pp. 5-25
    • Bissantz, C.1    Bernard, P.2    Hibert, M.3    Rognan, D.4
  • 51
    • 13944255377 scopus 로고    scopus 로고
    • Structure-based drug discovery using GPCR homology modeling: Successful virtual screening for antagonists of the alpha1A adrenergic receptor
    • DOI 10.1021/jm0491804
    • Evers A and Klabunde T. Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor. J Med Chem 2005, 48: 1088-1097. (Pubitemid 40270452)
    • (2005) Journal of Medicinal Chemistry , vol.48 , Issue.4 , pp. 1088-1097
    • Evers, A.1    Klabunde, T.2
  • 52
    • 6044260116 scopus 로고    scopus 로고
    • Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model
    • DOI 10.1021/jm0311487
    • Evers A and Klebe G. Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model. J Med Chem 2004, 47: 5381-5392. (Pubitemid 39382788)
    • (2004) Journal of Medicinal Chemistry , vol.47 , Issue.22 , pp. 5381-5392
    • Evers, A.1    Klebe, G.2
  • 53
    • 23944454816 scopus 로고    scopus 로고
    • Virtual screening of biogenic amine-binding G-protein coupled receptors: Comparative evaluation of protein- and ligand-based virtual screening protocols
    • DOI 10.1021/jm050090o
    • Evers A, Hessler G, Matter H and Klabunde T. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols. J Med Chem 2005, 48: 5448-5465. (Pubitemid 41209243)
    • (2005) Journal of Medicinal Chemistry , vol.48 , Issue.17 , pp. 5448-5465
    • Evers, A.1    Hessler, G.2    Matter, H.3    Klabunde, T.4


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