In silico analysis of conformational changes induced by mutation of aromatic binding residues: Consequences for drug binding in the hERG K+ channel

PLoS ONE

Volumn 6, Issue 12, 2011, Pages

  Knape, Kirsten ^a   Linder, Tobias ^a   Wolschann, Peter ^a   Beyer, Anton ^a   Stary Weinzinger, Anna ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

1 [2 (6 METHYL 2 PYRIDYL)ETHYL] 4 (4 METHYLSULFONYLAMINOBENZOYL)PIPERIDINE; 1' (6 CYANO 1,2,3,4 TETRAHYDRO 2 NAPHTHYL) 3,4 DIHYDRO 6 METHANESULFONAMIDOSPIRO[2H 1 BENZOPYRAN 2,4' PIPERIDIN] 4 OL; BEPRIDIL; CAPSAICIN; CISAPRIDE; DOFETILIDE; GPV 009; IBUTILIDE; POTASSIUM CHANNEL AFFECTING AGENT; POTASSIUM CHANNEL HERG; PROPAFENONE; TERFENADINE; THIORIDAZINE; UNCLASSIFIED DRUG; AROMATIC AMINO ACID; ERG1 POTASSIUM CHANNEL; MUTANT PROTEIN; POTASSIUM CHANNEL BLOCKING AGENT;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; DRUG PROTEIN BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MUTATION; SIMULATION; BIOLOGY; CHEMISTRY; GENETICS; HUMAN; METABOLISM; METHODOLOGY; MOLECULAR GENETICS; PLIABILITY; PROTEIN CONFORMATION; PROTEIN STABILITY; THERMODYNAMICS;

AMINO ACID SEQUENCE; AMINO ACIDS, AROMATIC; CAPSAICIN; COMPUTATIONAL BIOLOGY; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MUTANT PROTEINS; MUTATION; PLIABILITY; POTASSIUM CHANNEL BLOCKERS; PROTEIN CONFORMATION; PROTEIN STABILITY; THERMODYNAMICS;

EID: 83455205897     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0028778     Document Type: Article

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