Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation

European Journal of Medicinal Chemistry

Volumn 43, Issue 11, 2008, Pages 2479-2488

  Coi, Alessio ^a   Massarelli, Ilaria ^a   Testai, Lara ^a   Calderone, Vincenzo ^a   Bianucci, Anna Maria ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

hERG K+ channel; Homology building; Molecular modeling; QT interval prolongation; Toxicophore

Indexed keywords

2 DIPROPYLAMINO 8 HYDROXYTETRALIN; 5 METHYLURAPIDIL; 6 [2 [4 [(4 FLUOROPHENYL)PHENYLMETHYLENE] 1 PIPERIDYL]ETHYL] 7 METHYL 5H THIAZOLO[3,2 A]PYRIMIDIN 5 ONE; ASTEMIZOLE; CHLORPROTHIXENE; CISAPRIDE; CLONIDINE; DIAZEPAM; DICLOFENAC; HALOPERIDOL; NISOXETINE; PIRENPERONE; POTASSIUM CHANNEL HERG; QUINIDINE; RITANSERIN; SOTALOL; SPIPERONE; TETRACAINE; TRIFLUPERIDOL;

ANIMAL MODEL; ARTICLE; DRUG POTENCY; GUINEA PIG; MALE; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PREDICTION; QT PROLONGATION;

AMINO ACID SEQUENCE; HEART; HUMANS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PROTEIN SUBUNITS; SEQUENCE ALIGNMENT; STRUCTURE-ACTIVITY RELATIONSHIP; TRANS-ACTIVATORS;

EID: 54149100153     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2007.12.025     Document Type: Article

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