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Volumn 19, Issue 1-2, 2008, Pages 81-90

Computer-aided prediction of QT-prolongation

Author keywords

1 phosphatidylinositol 4 phospate inhibitors; Dimethylargininase inhibitors; hERG channels blockade; PASS; PharmaExpert; QT interval prolongation

Indexed keywords

FORECASTING;

EID: 40249086736     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360701844183     Document Type: Article
Times cited : (19)

References (53)
  • 1
    • 33645317063 scopus 로고    scopus 로고
    • hERG potassium channels and cardiac arrhythmia
    • M. Sanguinetti and M. Tristani-Firouzi, hERG potassium channels and cardiac arrhythmia, Nature 440 (2006), pp. 463-469.
    • (2006) Nature , vol.440 , pp. 463-469
    • Sanguinetti, M.1    Tristani-Firouzi, M.2
  • 2
    • 33745153776 scopus 로고    scopus 로고
    • The cardiac hERG/IKP- potassium channel as pharmacological target: structure, function, regulation and clinical applications
    • D. Thomas, C.A. Karle, and J. Kiehn, The cardiac hERG/IKP- potassium channel as pharmacological target: structure, function, regulation and clinical applications, Curr. Pharm. Des. 12 (2006), pp. 2271-2383.
    • (2006) Curr. Pharm. Des , vol.12 , pp. 2271-2383
    • Thomas, D.1    Karle, C.A.2    Kiehn, J.3
  • 3
    • 8344284404 scopus 로고    scopus 로고
    • Prediction of hERG K+ blocking potency: application of structural knowledge
    • A. Aptula and M. Cronin, Prediction of hERG K+ blocking potency: application of structural knowledge, SAR QSAR Environ. Res. 15 (2004), pp. 399-411.
    • (2004) SAR QSAR Environ. Res , vol.15 , pp. 399-411
    • Aptula, A.1    Cronin, M.2
  • 4
    • 13844254976 scopus 로고    scopus 로고
    • Predictive in silico modeling for hERG channel blockers
    • A. Aronov, Predictive in silico modeling for hERG channel blockers, Drug. Discov. Today. 10 (2005), pp. 149-155.
    • (2005) Drug. Discov. Today , vol.10 , pp. 149-155
    • Aronov, A.1
  • 5
    • 33747505446 scopus 로고    scopus 로고
    • Medicinal chemistry of hERG optimizations: highlights and hang-ups
    • C. Jamielson et al., Medicinal chemistry of hERG optimizations: highlights and hang-ups, J. Med. Chem. 49 (2006), pp. 5029-5046.
    • (2006) J. Med. Chem , vol.49 , pp. 5029-5046
    • Jamielson, C.1
  • 6
    • 0036904104 scopus 로고    scopus 로고
    • A virtual screening method for prediction of the hERG potassium channel liability of compounds libraries
    • O. Roshe et al., A virtual screening method for prediction of the hERG potassium channel liability of compounds libraries, ChemBioChem. 3 (2002), pp. 455-459.
    • (2002) ChemBioChem , vol.3 , pp. 455-459
    • Roshe, O.1
  • 7
    • 0037194634 scopus 로고    scopus 로고
    • Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of hERG K(+) channel blockers
    • A. Cavalli et al., Toward a pharmacophore for drugs inducing the long QT syndrome: insights from a CoMFA study of hERG K(+) channel blockers, J. Med. Chem. 45 (2002), pp. 3844-3853.
    • (2002) J. Med. Chem , vol.45 , pp. 3844-3853
    • Cavalli, A.1
  • 8
    • 0038487659 scopus 로고    scopus 로고
    • Prediction of hERG potassium channel affinity by traditional and hologram QSAR methods
    • G. Keseru, Prediction of hERG potassium channel affinity by traditional and hologram QSAR methods, Bioorg. Med. Chem. Lett. 13 (2003), pp. 2773-2775.
    • (2003) Bioorg. Med. Chem. Lett , vol.13 , pp. 2773-2775
    • Keseru, G.1
  • 9
    • 0038248920 scopus 로고    scopus 로고
    • Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior
    • R. Pearlstein et al., Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior, J. Med. Chem. 46 (2003), pp. 2017-2022.
    • (2003) J. Med. Chem , vol.46 , pp. 2017-2022
    • Pearlstein, R.1
  • 10
    • 1842686775 scopus 로고    scopus 로고
    • A model for identifying hERG K+ channel blockers
    • A. Aronov and B. Goldman, A model for identifying hERG K+ channel blockers, Bioorg. Med, Chem. 12 (2004), pp. 2307-2315.
    • (2004) Bioorg. Med, Chem , vol.12 , pp. 2307-2315
    • Aronov, A.1    Goldman, B.2
  • 11
    • 3543145510 scopus 로고    scopus 로고
    • HERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study
    • W. Bains, A. Basman, and C. White, HERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study, Progr. Biophys. Mol. Biol. 86 (2004), pp. 3153-3159.
    • (2004) Progr. Biophys. Mol. Biol , vol.86 , pp. 3153-3159
    • Bains, W.1    Basman, A.2    White, C.3
  • 12
    • 1642370447 scopus 로고    scopus 로고
    • Physicochemical features of the hERG channel drug binding site
    • D. Fernandez et al., Physicochemical features of the hERG channel drug binding site, J. Biol. Chem. 279 (2004), pp. 10120-10127.
    • (2004) J. Biol. Chem , vol.279 , pp. 10120-10127
    • Fernandez, D.1
  • 13
    • 19744368459 scopus 로고    scopus 로고
    • Characterization of binding site of close-state KCNQ1 potassium channel by homology modelling, molecular docking and pharmacophore identification
    • L. Du et al., Characterization of binding site of close-state KCNQ1 potassium channel by homology modelling, molecular docking and pharmacophore identification, Biochem. Biophys. Res. Communs. 332 (2005), pp. 677-687.
    • (2005) Biochem. Biophys. Res. Communs , vol.332 , pp. 677-687
    • Du, L.1
  • 14
    • 19444375852 scopus 로고    scopus 로고
    • Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods
    • F. Osterberg and J. Aqvist, Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods, FEBS Lett. 579 (2005), pp. 2939-2944.
    • (2005) FEBS Lett , vol.579 , pp. 2939-2944
    • Osterberg, F.1    Aqvist, J.2
  • 15
    • 33747505086 scopus 로고    scopus 로고
    • Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Summon mapping techniques
    • S. Ekins et al., Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Summon mapping techniques, J. Med. Chem. 49 (2006), pp. 5059-5071.
    • (2006) J. Med. Chem , vol.49 , pp. 5059-5071
    • Ekins, S.1
  • 16
    • 33750998518 scopus 로고    scopus 로고
    • Common pharmacophores for uncharged human ether-a-go-go-related gene (hERG) blockers
    • A. Aronov, Common pharmacophores for uncharged human ether-a-go-go-related gene (hERG) blockers, J. Med. Chem. 49 (2006), pp. 6917-6921.
    • (2006) J. Med. Chem , vol.49 , pp. 6917-6921
    • Aronov, A.1
  • 17
    • 33645856496 scopus 로고    scopus 로고
    • A QSAR model of hERG binding using a large, diverse and internally consistent training set
    • M. Sierstad and D. Agrafiotis, A QSAR model of hERG binding using a large, diverse and internally consistent training set, Chem. Biol. Drug. Des. 67 (2006), pp. 284-296.
    • (2006) Chem. Biol. Drug. Des , vol.67 , pp. 284-296
    • Sierstad, M.1    Agrafiotis, D.2
  • 18
    • 33644971220 scopus 로고    scopus 로고
    • Prediction of hERG potassium channel affinity by CODESSA approach
    • A. Coi et al., Prediction of hERG potassium channel affinity by CODESSA approach, Bioorg. Med. Chem. 14 (2006), pp. 3153-3159.
    • (2006) Bioorg. Med. Chem , vol.14 , pp. 3153-3159
    • Coi, A.1
  • 19
    • 33745147614 scopus 로고    scopus 로고
    • Determination of hERG channel blockers using a decision tree
    • M. Gepp and M. Hutter, Determination of hERG channel blockers using a decision tree, Bioorg. Med. Chem. 14 (2006), pp. 5325-5332.
    • (2006) Bioorg. Med. Chem , vol.14 , pp. 5325-5332
    • Gepp, M.1    Hutter, M.2
  • 20
    • 33847635166 scopus 로고    scopus 로고
    • A novel structure-based virtual screening model for the hERG channel blockers
    • L. Lu et al., A novel structure-based virtual screening model for the hERG channel blockers, Biochem. Biophys. Res. Communs. 355 (2007), pp. 889-894.
    • (2007) Biochem. Biophys. Res. Communs , vol.355 , pp. 889-894
    • Lu, L.1
  • 21
    • 34547587926 scopus 로고    scopus 로고
    • Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation
    • D. Diller and D. Hobbs, Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation, J. Comput. Aid. Mol. Des. 21 (2007), pp. 379-393.
    • (2007) J. Comput. Aid. Mol. Des , vol.21 , pp. 379-393
    • Diller, D.1    Hobbs, D.2
  • 22
    • 18244405359 scopus 로고    scopus 로고
    • In silico modelling of ADMET - A minireview of work from 2000 to 2004
    • U. Norinder, In silico modelling of ADMET - A minireview of work from 2000 to 2004, SAR QSAR Environ. Res. 16 (2004), pp. 1-11.
    • (2004) SAR QSAR Environ. Res , vol.16 , pp. 1-11
    • Norinder, U.1
  • 23
    • 12244293377 scopus 로고    scopus 로고
    • In silico predictive toxicology: the state-of-the-art and strategies to predict human health effects
    • C. Helma, In silico predictive toxicology: the state-of-the-art and strategies to predict human health effects, Curr. Opin. Drug Discov. Devel. 8 (2005), pp. 27-31.
    • (2005) Curr. Opin. Drug Discov. Devel , vol.8 , pp. 27-31
    • Helma, C.1
  • 24
    • 13944268698 scopus 로고    scopus 로고
    • Greater than the sum of its parts: combining models for useful ADMET prediction
    • S.E. O'Brien and M.J. De Groot, Greater than the sum of its parts: combining models for useful ADMET prediction, J. Med. Chem. 48 (2005), pp. 1287-1291.
    • (2005) J. Med. Chem , vol.48 , pp. 1287-1291
    • O'Brien, S.E.1    De Groot, M.J.2
  • 25
    • 14644412444 scopus 로고    scopus 로고
    • Predicting drug-hERG channel interactions that cause acquired long QT syndrome
    • M. Sangunietti and J. Mitcheson, Predicting drug-hERG channel interactions that cause acquired long QT syndrome. Trends Pharmacol. Sci. 26 (2005), pp. 119-124.
    • (2005) Trends Pharmacol. Sci , vol.26 , pp. 119-124
    • Sangunietti, M.1    Mitcheson, J.2
  • 26
    • 0345415758 scopus 로고    scopus 로고
    • Prediction of biological activity spectra via the Internet
    • A. Sadym et al., Prediction of biological activity spectra via the Internet, SAR QSAR Environ. Res. 14 (2003), pp. 339-347.
    • (2003) SAR QSAR Environ. Res , vol.14 , pp. 339-347
    • Sadym, A.1
  • 27
    • 33847009558 scopus 로고    scopus 로고
    • PASS: Identification of probable targets and mechanisms of toxicity
    • V. Poroikov et al., PASS: Identification of probable targets and mechanisms of toxicity, SAR QSAR Environ. Res. 18 (2007), pp. 101-110.
    • (2007) SAR QSAR Environ. Res , vol.18 , pp. 101-110
    • Poroikov, V.1
  • 28
    • 84964803288 scopus 로고    scopus 로고
    • PASS: Prediction of Biological Activity Spectra for Substances
    • C. Helma, ed., Taylor & Francis, Boca Raton, USA
    • V. Poroikov and D. Filimonov, PASS: Prediction of Biological Activity Spectra for Substances, in Predictive Toxicology, C. Helma, ed., Taylor & Francis, Boca Raton, USA, 2005, pp. 459-478.
    • (2005) Predictive Toxicology , pp. 459-478
    • Poroikov, V.1    Filimonov, D.2
  • 29
    • 85194973583 scopus 로고    scopus 로고
    • http://www.ibmc.msk.ru/PASS
  • 30
    • 0034320172 scopus 로고    scopus 로고
    • Robustness of biological activity spectra predicting by computer program PASS for non-congeneric sets of chemical compounds
    • V. Poroikov et al., Robustness of biological activity spectra predicting by computer program PASS for non-congeneric sets of chemical compounds, J. Chem. Inform. Comput. Sci. 40 (2000), pp. 1349-1355.
    • (2000) J. Chem. Inform. Comput. Sci , vol.40 , pp. 1349-1355
    • Poroikov, V.1
  • 31
    • 13844310308 scopus 로고    scopus 로고
    • Blockade of HERG channels by HIV protease inhibitors
    • B. Anson et al., Blockade of HERG channels by HIV protease inhibitors, The Lancet. 365 (2005), pp. 682-686.
    • (2005) The Lancet , vol.365 , pp. 682-686
    • Anson, B.1
  • 32
    • 1242328681 scopus 로고    scopus 로고
    • Differential effect of HERG blocking agents on cardiac electrical alternons in the guinea pig
    • A. Fossa et al., Differential effect of HERG blocking agents on cardiac electrical alternons in the guinea pig, Eur. J. Pharmacol. 486 (2004), pp. 209-221.
    • (2004) Eur. J. Pharmacol , vol.486 , pp. 209-221
    • Fossa, A.1
  • 33
    • 2542432906 scopus 로고    scopus 로고
    • Developing a strategy for the nonclinical assessment of proarrhythmic risk of pharmaceuticals due to prolonged ventricular repolarization
    • B. Guth et al., Developing a strategy for the nonclinical assessment of proarrhythmic risk of pharmaceuticals due to prolonged ventricular repolarization, J. Pharmacol Toxicol. Meth. 49 (2004), pp. 159-69.
    • (2004) J. Pharmacol Toxicol. Meth , vol.49 , pp. 159-169
    • Guth, B.1
  • 34
    • 0036042501 scopus 로고    scopus 로고
    • Antimalarial drugs inhibit the acetylcholine-receptor-operated potassium current in atrial myocytes
    • Y. Hara and K. Kizaki, Antimalarial drugs inhibit the acetylcholine-receptor-operated potassium current in atrial myocytes, Heart Lung Circ. 11 (2002), pp. 112-116.
    • (2002) Heart Lung Circ , vol.11 , pp. 112-116
    • Hara, Y.1    Kizaki, K.2
  • 35
    • 0037118903 scopus 로고    scopus 로고
    • A comparison of the receptor binding and HERG channel affinities for a series of antipsychotic drugs
    • S. Kongsamut et al., A comparison of the receptor binding and HERG channel affinities for a series of antipsychotic drugs, Eur. J. Pharmacol. 450 (2002), pp. 37-41.
    • (2002) Eur. J. Pharmacol , vol.450 , pp. 37-41
    • Kongsamut, S.1
  • 36
    • 11444263995 scopus 로고    scopus 로고
    • Transmural dispersion of repolarization as a key factor of arrhythmogenicity in a novel intact heart model of'LQT3
    • P. Milberg et al., Transmural dispersion of repolarization as a key factor of arrhythmogenicity in a novel intact heart model of'LQT3, Cardiovasc. Res. 65 (2005), pp. 397-404.
    • (2005) Cardiovasc. Res , vol.65 , pp. 397-404
    • Milberg, P.1
  • 37
    • 0037186909 scopus 로고    scopus 로고
    • Cardiotoxicity of new antihistamines and cisapride
    • I. Paakkari, Cardiotoxicity of new antihistamines and cisapride, Toxicol. Lett. 127 (2002), pp. 279-284.
    • (2002) Toxicol. Lett , vol.127 , pp. 279-284
    • Paakkari, I.1
  • 38
    • 0035216709 scopus 로고    scopus 로고
    • The role of internet-based registries in tandem with genetic screening for the study of drug-induced arrythmias
    • S. Remich, M. Kilborn, and R. Woosley, The role of internet-based registries in tandem with genetic screening for the study of drug-induced arrythmias, Curr. Ther. Res. 62 (2001), pp. 787-795.
    • (2001) Curr. Ther. Res , vol.62 , pp. 787-795
    • Remich, S.1    Kilborn, M.2    Woosley, R.3
  • 39
    • 33751195492 scopus 로고    scopus 로고
    • In-vitro experimental models for the risk assessment of antibiotic-induced QT prolongation
    • E. Vlaminckx et al., In-vitro experimental models for the risk assessment of antibiotic-induced QT prolongation, Eur. J. Pharmacol. 553 (2006), pp. 229-239.
    • (2006) Eur. J. Pharmacol , vol.553 , pp. 229-239
    • Vlaminckx, E.1
  • 40
    • 2442702680 scopus 로고    scopus 로고
    • Inhibition of human ether-a-go-go-related gene potassium channels by alpha l-adrenoceptor antagonists prazosin, doxazosin, and terazosin
    • D. Thomas et al., Inhibition of human ether-a-go-go-related gene potassium channels by alpha l-adrenoceptor antagonists prazosin, doxazosin, and terazosin, Naunyn Schmiedebergs Arch Pharmacol. 369 (2004), pp. 462-472.
    • (2004) Naunyn Schmiedebergs Arch Pharmacol , vol.369 , pp. 462-472
    • Thomas, D.1
  • 41
    • 85194978623 scopus 로고    scopus 로고
    • Exploring QTSR and toxicophore of hERG K+ channel blockers using GFA and HypoGen techniques
    • [Epub ahead of print]
    • D. Garg, T. Gandhi, and C Mohan, Exploring QTSR and toxicophore of hERG K+ channel blockers using GFA and HypoGen techniques, J. Mol. Graph. Model. (2007). [Epub ahead of print].
    • (2007) J. Mol. Graph. Model
    • Garg, D.1    Gandhi, T.2    Mohan, C3
  • 42
    • 0034810878 scopus 로고    scopus 로고
    • Inhibition of HERG potassium channel current by the class la antiarrhythmic agent disopyramide
    • A. Paul, H. Witchel, and J. Hancox, Inhibition of HERG potassium channel current by the class la antiarrhythmic agent disopyramide, Biochem. Biophys. Res. Commun, 280 (2001), pp. 1243-1250.
    • (2001) Biochem. Biophys. Res. Commun , vol.280 , pp. 1243-1250
    • Paul, A.1    Witchel, H.2    Hancox, J.3
  • 43
    • 33750480200 scopus 로고    scopus 로고
    • Drug-induced long QT syndrome: hERG K+ channel block and disruption of protein trafficking by fluoxetine and norfluoxetine
    • S. Rajamani et al., Drug-induced long QT syndrome: hERG K+ channel block and disruption of protein trafficking by fluoxetine and norfluoxetine, Br. J. Pharmacol, 149 (2006), pp. 481-489.
    • (2006) Br. J. Pharmacol , vol.149 , pp. 481-489
    • Rajamani, S.1
  • 44
    • 85194976666 scopus 로고    scopus 로고
    • Alfuzosin delays cardiac repolarization by a novel mechanism
    • [Epub ahead of print]
    • A. Lacerda, et al., Alfuzosin delays cardiac repolarization by a novel mechanism, J. Pharmacol. Exp. Ther. (2007). [Epub ahead of print].
    • (2007) J. Pharmacol. Exp. Ther
    • Lacerda, A.1
  • 45
    • 85194973256 scopus 로고    scopus 로고
    • http://www.mdl.com.
  • 47
    • 31344440297 scopus 로고    scopus 로고
    • Pharmacotherapies and their influence on asymmetric dimethylargine (ADMA)
    • http://www.brenda-enzymes.info
    • http://www.brenda-enzymes.info R. Maas, Pharmacotherapies and their influence on asymmetric dimethylargine (ADMA), Vase. Med. 10 (2005), 49-57.
    • (2005) Vase. Med , vol.10 , pp. 49-57
    • Maas, R.1
  • 48
    • 0032780134 scopus 로고    scopus 로고
    • Modulation of HERG potassium channel properties by external pH
    • J. Berube, M. Chahine, and P. Daleau, Modulation of HERG potassium channel properties by external pH, Pflugers Arch. 438 (1999), pp. 419-422.
    • (1999) Pflugers Arch , vol.438 , pp. 419-422
    • Berube, J.1    Chahine, M.2    Daleau, P.3
  • 49
    • 0013245018 scopus 로고
    • Nitric oxide: mysterious messenger
    • Y. Katayama, Nitric oxide: mysterious messenger, Dojindo Newsletter. 1 (1995), pp. 1-26.
    • (1995) Dojindo Newsletter , vol.1 , pp. 1-26
    • Katayama, Y.1
  • 50
    • 0038515428 scopus 로고    scopus 로고
    • Cardiotoxicity of lindane, a gamma isomer of hexachlorocyclohexane
    • M. Sauviat and N. Pages, Cardiotoxicity of lindane, a gamma isomer of hexachlorocyclohexane, J. Soc. Biol. 196 (2002), p. 339.
    • (2002) J. Soc. Biol , vol.196 , pp. 339
    • Sauviat, M.1    Pages, N.2
  • 51
    • 0036259518 scopus 로고    scopus 로고
    • Deletion of protein kinase A phosphorylation sites in the HERG potassium channel inhibits activation shift by protein kinase A
    • Z. Wei et al., Deletion of protein kinase A phosphorylation sites in the HERG potassium channel inhibits activation shift by protein kinase A, Chinese Med. Journ, 115 (2002), pp. 668-676.
    • (2002) Chinese Med. Journ , vol.115 , pp. 668-676
    • Wei, Z.1
  • 52
    • 0034235397 scopus 로고    scopus 로고
    • Calcium, a signaling molecule in the endoplasmic reticulum?
    • E. Corbett and M. Michalak, Calcium, a signaling molecule in the endoplasmic reticulum?, Trends. Biochem. Sci. 25 (2000), pp. 307-311.
    • (2000) Trends. Biochem. Sci , vol.25 , pp. 307-311
    • Corbett, E.1    Michalak, M.2
  • 53
    • 0035857764 scopus 로고    scopus 로고
    • Drug-induced QTprolongation in women during the menstrual cycle
    • I. Rodriguez et al., Drug-induced QTprolongation in women during the menstrual cycle, JAMA. 285 (2001), pp. 1322-1326.
    • (2001) JAMA , vol.285 , pp. 1322-1326
    • Rodriguez, I.1


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