Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B

Journal of the American Chemical Society

Volumn 132, Issue 43, 2010, Pages 15204-15212

  Laplante, Steven R ^a   Gillard, James R ^a   Jakalian, Araz ^a   Aubry, Norman ^a   Coulombe, René ^a   Brochu, Christian ^a   Tsantrizos, Youla S ^a   Poirier, Martin ^a   Kukolj, George ^a   Beaulieu, Pierre L ^a  

^a BOEHRINGER INGELHEIM CANADA LTD   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BIMOLECULAR RECOGNITION; BIOACTIVE CONFORMATION; CONFORMATIONAL CHANGE; CONFORMATIONAL SELECTION; DIAMIDES; HEPATITIS C VIRUS; LIGAND DESIGN; PHOTOAFFINITY LABELING; POLYMERASE COMPLEX; SOLVENT EXPOSURE;

LIGANDS; VIRUSES; X RAY CRYSTALLOGRAPHY;

CONFORMATIONS;

ANTIVIRUS AGENT; DIAMIDE; INDOLE DERIVATIVE; NONSTRUCTURAL PROTEIN 5B;

ANTIVIRAL ACTIVITY; ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG CONFORMATION; DRUG POTENCY; HEPATITIS C VIRUS; IC 50; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NUCLEAR OVERHAUSER EFFECT; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VIRUS MUTANT; X RAY CRYSTALLOGRAPHY;

ALLOSTERIC REGULATION; DIAMIDE; DRUG DISCOVERY; ENZYME INHIBITORS; HEPACIVIRUS; INDOLES; INHIBITORY CONCENTRATION 50; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; VIRAL NONSTRUCTURAL PROTEINS;

EID: 78049365437     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja101358s     Document Type: Article

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