메뉴 건너뛰기




Volumn 12, Issue 9, 2004, Pages 2307-2315

A model for identifying HERG K+ channel blockers

Author keywords

AP, atom pairs; CAT, chemically advanced template; CoMFA, comparative molecular field analysis; HERG, human ether a go go related gene; LQTS, long QT syndrome; PDR, physicians' desk reference; QSAR, quantitative structure activity relationships

Indexed keywords

POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG;

EID: 1842686775     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2004.02.003     Document Type: Article
Times cited : (123)

References (53)
  • 1
    • 0030066573 scopus 로고    scopus 로고
    • Molecular genetic insights into cardiovascular disease
    • Keating M.T., Sanguinetti M.C. Molecular genetic insights into cardiovascular disease. Science. 272:1996;681-685.
    • (1996) Science , vol.272 , pp. 681-685
    • Keating, M.T.1    Sanguinetti, M.C.2
  • 2
    • 0033530381 scopus 로고    scopus 로고
    • Long QT syndromes and torsade de pointes
    • Viskin S. Long QT syndromes and torsade de pointes. Lancet. 354:1999;1625-1633.
    • (1999) Lancet , vol.354 , pp. 1625-1633
    • Viskin, S.1
  • 3
    • 0033166783 scopus 로고    scopus 로고
    • QT interval prolongation by non-cardiovascular drugs: Issues and solutions for novel drug development
    • Crumb W., Cavero I. QT interval prolongation by non-cardiovascular drugs: issues and solutions for novel drug development. Pharm. Sci. Technol. Today. 2:1999;270-280.
    • (1999) Pharm. Sci. Technol. Today , vol.2 , pp. 270-280
    • Crumb, W.1    Cavero, I.2
  • 4
    • 0029007356 scopus 로고
    • HERG, a human inward rectifier in the voltage-gated potassium channel family
    • Trudeau M., Warmke J.W., Ganetzky B., Robertson G.A. HERG, a human inward rectifier in the voltage-gated potassium channel family. Science. 269:1995;92-95.
    • (1995) Science , vol.269 , pp. 92-95
    • Trudeau, M.1    Warmke, J.W.2    Ganetzky, B.3    Robertson, G.A.4
  • 5
    • 0029002969 scopus 로고
    • A mechanistic link between an inherited and an acquired cardiac arrhythmia: HERG encodes the IKr potassium channel
    • Sanguinetti M.C., Jiang C., Curran M.E., Keating M.T. A mechanistic link between an inherited and an acquired cardiac arrhythmia: HERG encodes the IKr potassium channel. Cell. 81:1995;299-307.
    • (1995) Cell , vol.81 , pp. 299-307
    • Sanguinetti, M.C.1    Jiang, C.2    Curran, M.E.3    Keating, M.T.4
  • 6
    • 0037033044 scopus 로고    scopus 로고
    • Interaction with GM130 during HERG ion channel trafficking. Disruption by type 2 congenital long QT syndrome mutations
    • Roti Roti E.C., Myers C.D., Ayers R.A., Boatman D.E., Delfosse S.A.et al. Interaction with GM130 during HERG ion channel trafficking. Disruption by type 2 congenital long QT syndrome mutations. J. Biol. Chem. 277:2002;47779-47785.
    • (2002) J. Biol. Chem. , vol.277 , pp. 47779-47785
    • Roti Roti, E.C.1    Myers, C.D.2    Ayers, R.A.3    Boatman, D.E.4    Delfosse, S.A.5
  • 7
    • 2242423606 scopus 로고    scopus 로고
    • A novel mutation (T65P) in the PAS domain of the human potassium channel HERG results in the long QT syndrome by trafficking deficiency
    • Paulussen A., Raes A., Matthijs G., Snyders D.J., Cohen N., Aerssens J. A novel mutation (T65P) in the PAS domain of the human potassium channel HERG results in the long QT syndrome by trafficking deficiency. J. Biol. Chem. 277:2002;48610-48616.
    • (2002) J. Biol. Chem. , vol.277 , pp. 48610-48616
    • Paulussen, A.1    Raes, A.2    Matthijs, G.3    Snyders, D.J.4    Cohen, N.5    Aerssens, J.6
  • 8
    • 0036258115 scopus 로고    scopus 로고
    • Safety of non-antiarrhythmic drugs that prolong the QT interval or induce torsades de pointes: An overview
    • De Ponti F., Poluzzi E., Cavalli A., Recanatini M., Montanaro N. Safety of non-antiarrhythmic drugs that prolong the QT interval or induce torsades de pointes: an overview. Drug Saf. 25:2002;263-286.
    • (2002) Drug Saf. , vol.25 , pp. 263-286
    • De Ponti, F.1    Poluzzi, E.2    Cavalli, A.3    Recanatini, M.4    Montanaro, N.5
  • 9
    • 0036229805 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel
    • Ekins S., Crumb W.J., Sarazan R.D., Wikel J.H., Wrighton S.A. Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel. J. Pharmacol. Exp. Ther. 301:2002;427-434.
    • (2002) J. Pharmacol. Exp. Ther. , vol.301 , pp. 427-434
    • Ekins, S.1    Crumb, W.J.2    Sarazan, R.D.3    Wikel, J.H.4    Wrighton, S.A.5
  • 12
    • 0036904104 scopus 로고    scopus 로고
    • A virtual screening method for prediction of the hERG potassium channel liability of compound libraries
    • Roche O., Trube G., Zuegge J., Pflimlin P., Alanine A., Schneider G. A virtual screening method for prediction of the hERG potassium channel liability of compound libraries. ChemBioChem. 3:2002;455-459.
    • (2002) ChemBioChem. , vol.3 , pp. 455-459
    • Roche, O.1    Trube, G.2    Zuegge, J.3    Pflimlin, P.4    Alanine, A.5    Schneider, G.6
  • 16
    • 0033952902 scopus 로고    scopus 로고
    • Molecular determinant of high-affinity dofetilide binding to HERG1 expressed in Xenopus oocytes: Involvement of S6 sites
    • Lees-Miller J.P., Duan Y., Teng G.Q., Duff H.J. Molecular determinant of high-affinity dofetilide binding to HERG1 expressed in Xenopus oocytes: involvement of S6 sites. Mol. Pharmacol. 57:2000;367-374.
    • (2000) Mol. Pharmacol. , vol.57 , pp. 367-374
    • Lees-Miller, J.P.1    Duan, Y.2    Teng, G.Q.3    Duff, H.J.4
  • 17
    • 0037126062 scopus 로고    scopus 로고
    • Position of aromatic residues in the S6 domain, not inactivation, dictates cisapride sensitivity of HERG and eag potassium channels
    • Chen J., Seebohm G., Sanguinetti M.C. Position of aromatic residues in the S6 domain, not inactivation, dictates cisapride sensitivity of HERG and eag potassium channels. Proc. Natl. Acad. Sci. 99:2002;12461-12466.
    • (2002) Proc. Natl. Acad. Sci. , vol.99 , pp. 12461-12466
    • Chen, J.1    Seebohm, G.2    Sanguinetti, M.C.3
  • 20
    • 0034644135 scopus 로고    scopus 로고
    • A rapid computational method for lead evolution: Description and application to alpha (1)-adrenergic antagonists
    • Bradley E.K., Beroza P., Penzotti J.E., Grootenhuis P.D., Spellmeyer D.C., Miller J.L. A rapid computational method for lead evolution: description and application to alpha (1)-adrenergic antagonists. J. Med. Chem. 43:2000;2770-2774.
    • (2000) J. Med. Chem. , vol.43 , pp. 2770-2774
    • Bradley, E.K.1    Beroza, P.2    Penzotti, J.E.3    Grootenhuis, P.D.4    Spellmeyer, D.C.5    Miller, J.L.6
  • 21
    • 0037171818 scopus 로고    scopus 로고
    • A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein
    • Penzotti J.E., Lamb M.L., Evensen E., Grootenhuis P.D. A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein. J. Med. Chem. 45:2002;1737-1740.
    • (2002) J. Med. Chem. , vol.45 , pp. 1737-1740
    • Penzotti, J.E.1    Lamb, M.L.2    Evensen, E.3    Grootenhuis, P.D.4
  • 22
    • 0003076470 scopus 로고
    • Topological torsions: A new molecular descriptor for sar applications. Comparison with other descriptors
    • Nilakantan R., Bauman N., Dixon J.S., Venkataraghavan R. Topological torsions: a new molecular descriptor for sar applications. Comparison with other descriptors. J. Chem. Inf. Comput. Sci. 27:1987;82-85.
    • (1987) J. Chem. Inf. Comput. Sci. , vol.27 , pp. 82-85
    • Nilakantan, R.1    Bauman, N.2    Dixon, J.S.3    Venkataraghavan, R.4
  • 23
    • 33845379303 scopus 로고
    • Atom pairs as molecular features in structure-activity studies: Definition and application
    • Carhart R.E., Smith D.H., Venkataraghavan R. Atom pairs as molecular features in structure-activity studies: definition and application. J. Chem. Inf. Comput. Sci. 25:1985;64-73.
    • (1985) J. Chem. Inf. Comput. Sci. , vol.25 , pp. 64-73
    • Carhart, R.E.1    Smith, D.H.2    Venkataraghavan, R.3
  • 24
    • 0033523672 scopus 로고    scopus 로고
    • 'Scaffold-hopping' by topological pharmacophore search: A contribution to virtual screening
    • Schneider G., Neidhart W., Giller T., Schmid G. 'Scaffold-hopping' by topological pharmacophore search: a contribution to virtual screening. Angew. Chem., Int. Ed. 38:1999;2894-2896.
    • (1999) Angew. Chem., Int. Ed. , vol.38 , pp. 2894-2896
    • Schneider, G.1    Neidhart, W.2    Giller, T.3    Schmid, G.4
  • 25
  • 27
    • 12444292790 scopus 로고    scopus 로고
    • Optimization of a tertiary alcohol series of phosphodiesterase-4 (PDE4) inhibitors: Structure-activity relationship related to PDE4 inhibition and human ether-a-go-go related gene potassium channel binding activity
    • Friesen R.W., Ducharme Y., Ball R.G., Blouin M., Boulet L., Cote B., Frenette R., Girard M., Guay D., Huang Z.et al. Optimization of a tertiary alcohol series of phosphodiesterase-4 (PDE4) inhibitors: structure-activity relationship related to PDE4 inhibition and human ether-a-go-go related gene potassium channel binding activity. J. Med. Chem. 46:2003;2413-2426.
    • (2003) J. Med. Chem. , vol.46 , pp. 2413-2426
    • Friesen, R.W.1    Ducharme, Y.2    Ball, R.G.3    Blouin, M.4    Boulet, L.5    Cote, B.6    Frenette, R.7    Girard, M.8    Guay, D.9    Huang, Z.10
  • 29
    • 0036420691 scopus 로고    scopus 로고
    • Trends in virtual combinatorial library design
    • Schneider G. Trends in virtual combinatorial library design. Curr. Med. Chem. 9:2002;2095-2101.
    • (2002) Curr. Med. Chem. , vol.9 , pp. 2095-2101
    • Schneider, G.1
  • 30
    • 1842724770 scopus 로고    scopus 로고
    • Fenichel, R. R. http://fenichel.net/pages/Professional/subpages/QT/ Tables/pbydrug.htm.
    • Fenichel, R.R.1
  • 31
    • 0035987783 scopus 로고    scopus 로고
    • Inhibition of the current of heterologously expressed HERG potassium channels by flecainide and comparison with quinidine, propafenone, and lignocaine
    • Paul A.A., Witchel H.J., Hancox J.C. Inhibition of the current of heterologously expressed HERG potassium channels by flecainide and comparison with quinidine, propafenone, and lignocaine. Br. J. Pharmacol. 136:2002;717-729.
    • (2002) Br. J. Pharmacol. , vol.136 , pp. 717-729
    • Paul, A.A.1    Witchel, H.J.2    Hancox, J.C.3
  • 32
    • 0036089685 scopus 로고    scopus 로고
    • Blockade of human cardiac potassium channel human ether-a-go-go-related gene (HERG) by macrolide antibiotics
    • Volberg W.A., Koci B.J., Su W., Lin J., Zhou J. Blockade of human cardiac potassium channel human ether-a-go-go-related gene (HERG) by macrolide antibiotics. J. Pharmacol. Exp. Ther. 302:2002;320-327.
    • (2002) J. Pharmacol. Exp. Ther. , vol.302 , pp. 320-327
    • Volberg, W.A.1    Koci, B.J.2    Su, W.3    Lin, J.4    Zhou, J.5
  • 33
    • 0037070199 scopus 로고    scopus 로고
    • Inhibitory actions of the selective serotonin re-uptake inhibitor citalopram on HERG and ventricular L-type calcium currents
    • Witchel H.J., Pabbathi V.K., Hofmann G., Paul A.A., Hancox J.C. Inhibitory actions of the selective serotonin re-uptake inhibitor citalopram on HERG and ventricular L-type calcium currents. FEBS Lett. 512:2002;59-66.
    • (2002) FEBS Lett. , vol.512 , pp. 59-66
    • Witchel, H.J.1    Pabbathi, V.K.2    Hofmann, G.3    Paul, A.A.4    Hancox, J.C.5
  • 34
    • 0036151533 scopus 로고    scopus 로고
    • The antidepressant drug fluoxetine is an inhibitor of human ether-a-go-go-related gene (HERG) potassium channels
    • Thomas D., Gut B., Wendt-Nordahl G., Kiehn J. The antidepressant drug fluoxetine is an inhibitor of human ether-a-go-go-related gene (HERG) potassium channels. J. Pharmacol. Exp. Ther. 300:2002;543-548.
    • (2002) J. Pharmacol. Exp. Ther. , vol.300 , pp. 543-548
    • Thomas, D.1    Gut, B.2    Wendt-Nordahl, G.3    Kiehn, J.4
  • 35
    • 0035670701 scopus 로고    scopus 로고
    • Effects of the class III antiarrhythmic agent dofetilide (UK-68,798) on L-type calcium current from rabbit ventricular myocytes
    • Paul A.A., Leishman D.J., Witchel H.J., Hancox J.C. Effects of the class III antiarrhythmic agent dofetilide (UK-68,798) on L-type calcium current from rabbit ventricular myocytes. J. Pharm. Pharmacol. 53:2001;1671-1678.
    • (2001) J. Pharm. Pharmacol. , vol.53 , pp. 1671-1678
    • Paul, A.A.1    Leishman, D.J.2    Witchel, H.J.3    Hancox, J.C.4
  • 36
    • 0036135799 scopus 로고    scopus 로고
    • Inhibition of HERG potassium channels by cocaethylene: A metabolite of cocaine and ethanol
    • O'Leary M.E. Inhibition of HERG potassium channels by cocaethylene: a metabolite of cocaine and ethanol. Cardiovasc. Res. 53:2002;59-67.
    • (2002) Cardiovasc. Res. , vol.53 , pp. 59-67
    • O'Leary, M.E.1
  • 37
    • 0035197735 scopus 로고    scopus 로고
    • Gastrointestinal prokinetic drugs have different affinity for the human cardiac human ether-a-gogo K (+) channel
    • Potet F., Bouyssou T., Escande D., Baro I. Gastrointestinal prokinetic drugs have different affinity for the human cardiac human ether-a-gogo K (+) channel. J. Pharmacol. Exp. Ther. 299:2001;1007-1012.
    • (2001) J. Pharmacol. Exp. Ther. , vol.299 , pp. 1007-1012
    • Potet, F.1    Bouyssou, T.2    Escande, D.3    Baro, I.4
  • 41
    • 0034810878 scopus 로고    scopus 로고
    • Inhibition of HERG potassium channel current by the class 1a antiarrhythmic agent disopyramide
    • Paul A.A., Witchel H.J., Hancox J.C. Inhibition of HERG potassium channel current by the class 1a antiarrhythmic agent disopyramide. Biochem. Biophys. Res. Commun. 280:2001;1243-1250.
    • (2001) Biochem. Biophys. Res. Commun. , vol.280 , pp. 1243-1250
    • Paul, A.A.1    Witchel, H.J.2    Hancox, J.C.3
  • 42
    • 0035133687 scopus 로고    scopus 로고
    • Inhibition of human ether-a-go-go potassium channels by cocaine
    • O'Leary M.E. Inhibition of human ether-a-go-go potassium channels by cocaine. Mol. Pharmacol. 59:2001;269-277.
    • (2001) Mol. Pharmacol. , vol.59 , pp. 269-277
    • O'Leary, M.E.1
  • 44
    • 0033696898 scopus 로고    scopus 로고
    • Inhibition of HERG1 K(+) channels by the novel second-generation antihistamine mizolastine
    • Taglialatela M., Pannaccione A., Castaldo P., Giorgio G., Annunziato L. Inhibition of HERG1 K(+) channels by the novel second-generation antihistamine mizolastine. Br. J. Pharmacol. 131:2000;1081-1088.
    • (2000) Br. J. Pharmacol. , vol.131 , pp. 1081-1088
    • Taglialatela, M.1    Pannaccione, A.2    Castaldo, P.3    Giorgio, G.4    Annunziato, L.5
  • 47
    • 0034111253 scopus 로고    scopus 로고
    • Preclinical pharmacology of desloratadine, a selective and non-sedating histamine H1 receptor antagonist. Second communication: Lack of central nervous system and cardiovascular effects
    • Kreutner W., Hey J.A., Chiu P., Barnett A. Preclinical pharmacology of desloratadine, a selective and non-sedating histamine H1 receptor antagonist. Second communication: lack of central nervous system and cardiovascular effects. Arzneimittelforschung. 50:2000;441-448.
    • (2000) Arzneimittelforschung , vol.50 , pp. 441-448
    • Kreutner, W.1    Hey, J.A.2    Chiu, P.3    Barnett, A.4
  • 48
    • 0034231822 scopus 로고    scopus 로고
    • Drugs that prolong QT interval as an unwanted effect: Assessing their likelihood of inducing hazardous cardiac dysrhythmias
    • Cavero I., Mestre M., Guillon J.M., Crumb W. Drugs that prolong QT interval as an unwanted effect: assessing their likelihood of inducing hazardous cardiac dysrhythmias. Expert Opin. Pharmacother. 1:2000;947-973.
    • (2000) Expert Opin. Pharmacother. , vol.1 , pp. 947-973
    • Cavero, I.1    Mestre, M.2    Guillon, J.M.3    Crumb, W.4
  • 51
    • 0038449770 scopus 로고    scopus 로고
    • Thompson Medical Economics: Montvale, NJ.
    • ®; Thompson Medical Economics: Montvale, NJ. http://www.pdrel.com.
    • ®
  • 52
    • 1842674538 scopus 로고    scopus 로고
    • OpenEye Scientific Software: Santa Fe, NM.
    • Omega; OpenEye Scientific Software: Santa Fe, NM.
    • Omega
  • 53
    • 0141882061 scopus 로고    scopus 로고
    • Advanced Chemistry Development: Toronto, Canada.
    • ACD/Labs; Advanced Chemistry Development: Toronto, Canada.
    • ACD/Labs


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.