Biomedical Engineering Reference
In-Depth Information
31. Aronov AM, Goldman BB (2004) A model for identifying HERG K+ channel blockers.
Bioorg Med Chem 12:2307-2315
32. Testai L, Bianucci AM, Massarelli I et al (2004) Torsadogenic cardiotoxicity of antipsy-
chotic drugs: a structural feature, potentially involved in the interaction with cardiac HERG
potassium channels. Curr Med Chem 11:2691-2706
33. Aronov AM (2006) Common pharmacophores for uncharged human ether-a-go-go-related
gene (hERG) blockers. J Med Chem 49:6917-6921
34. Crumb WJ Jr, Ekins S, Sarazan RD et al (2006) Effects of antipsychotic drugs on I(to),
I (Na), I (sus), I (K1), and hERG: QT prolongation, structure activity relationship, and
network analysis. Pharm Res 23:1133-1143
35. Johnson SR, Yue H, Conder ML et al (2007) Estimation of hERG inhibition of drug
candidates using multivariate property and pharmacophore SAR. Bioorg Med Chem 15:
6182-6192
36. Kramer C, Beck B, Kriegl JM et al (2008) A composite model for HERG blockade.
ChemMedChem 3:254-265
37. Garg D, Gandhi T, Gopi Mohan C (2008) Exploring QSTR and toxicophore of hERG K+
channel blockers using GFA and HypoGen techniques. J Mol Graph Model 26:966-976
38. Shamovsky I, Connolly S, David L et al (2008) Overcoming undesirable HERG potency of
chemokine receptor antagonists using baseline lipophilicity relationships. J Med Chem 51:
1162-1178
39. Coi A, Massarelli I, Testai L et al (2008) Identification of “toxicophoric” features for
predicting drug-induced QT interval prolongation. Eur J Med Chem 43:2479-2488
40. Cianchetta G, Li Y, Kang J et al (2005) Predictive models for hERG potassium channel
blockers. Bioorg Med Chem Lett 15:3637-3642
41. Li Q, Jorgensen FS, Oprea T et al (2008) hERG classification model based on a combination
of support vector machine method and GRIND descriptors. Mol Pharm 5:117-127
42. Ermondi G, Visentin S, Caron G (2009) GRIND-based 3D-QSAR and CoMFA to investigate
topics dominated by hydrophobic interactions: the case of hERG K+ channel blockers. Eur J
Med Chem 44:1926-1932
43. Aptula AO, Cronin MT (2004) Prediction of hERG K+ blocking potency: application of
structural knowledge. SAR QSAR Environ Res 15:399-411
44. Keseru GM (2003) Prediction of hERG potassium channel affinity by traditional and
hologram qSAR methods. Bioorg Med Chem Lett 13:2773-2775
45. Fioravanzo E, Cazzolla N, Durando L et al (2005) General and independent approaches to
predict HERG affinity values. Internet Electron J Mol Des 4:625-646
46. Song M, Clark M (2006) Development and evaluation of an in silico model for hERG
binding. J Chem Inf Model 46:392-400
47. Zolotoy AB, Plouvier BP, Beatch GB et al (2003) Physicochemical determinants for drug
induced blockade of HERG potassium channels: effect of charge and charge shielding. Curr
Med Chem Cardiovasc Hematol Agents 1:225-241
48. Coi A, Massarelli I, Murgia L et al (2006) Prediction of hERG potassium channel affinity by
the CODESSA approach. Bioorg Med Chem 14:3153-3159
49. Yoshida K, Niwa T (2006) Quantitative structure-activity relationship studies on inhibition
of HERG potassium channels. J Chem Inf Model 46:1371-1378
50. Seierstad M, Agrafiotis DK (2006) A QSAR model of HERG binding using a large, diverse,
and internally consistent training set. Chem Biol Drug Des 67:284-296
51. Ekins S, Balakin KV, Savchuk N et al (2006) Insights for human ether-a-go-go-related gene
potassium channel inhibition using recursive partitioning and Kohonen and Sammon
mapping techniques. J Med Chem 49:5059-5071
52. Leong MK (2007) A novel approach using pharmacophore ensemble/support vector machine
(PhE/SVM) for prediction of hERG liability. Chem Res Toxicol 20:217-226
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