New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 9, 2006, Pages 3160-3173

  Farid, Ramy ^a   Day, Tyler ^a   Friesner, Richard A ^b   Pearlstein, Robert A ^a  

^a SCHRÖDINGER INC   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Cisapride; Clofilium; HERG blockers; HERG potassium channel; Homology modeling; Ibutilide; Induced fit; MK 499; Sertindole; Terfenadine

Indexed keywords

1' (6 CYANO 1,2,3,4 TETRAHYDRO 2 NAPHTHYL) 3,4 DIHYDRO 6 METHANESULFONAMIDOSPIRO[2H 1 BENZOPYRAN 2,4' PIPERIDIN] 4 OL; AROMATIC COMPOUND; CATION; CISAPRIDE; CLOFILIUM; IBUTILIDE; POTASSIUM CHANNEL BLOCKING AGENT; POTASSIUM CHANNEL HERG; SERINE DERIVATIVE; SERTINDOLE; TERFENADINE; TETRAMER; THREONINE; TYROSINE DERIVATIVE;

ARTICLE; CHEMICAL INTERACTION; CRYSTAL STRUCTURE; DRUG STRUCTURE; ELECTRICITY; HYDROPHILICITY; HYDROPHOBICITY; PROTEIN DOMAIN;

CONSERVED SEQUENCE; ETHER-A-GO-GO POTASSIUM CHANNELS; HYDROPHOBICITY; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; POTASSIUM CHANNEL BLOCKERS; PROTEIN STRUCTURE, QUATERNARY; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; STRUCTURAL HOMOLOGY, PROTEIN;

BACTERIA (MICROORGANISMS);

EID: 33644967111     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.12.032     Document Type: Article

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