Binding mode determination of benzimidazole inhibitors of the hepatitis C virus RNA polymerase by a structure and dynamics strategy.
LaPlante
Steven R
SR
Department of Chemistry, Boehringer Ingelheim, Canada, Ltd., Research and Development, 2100 Cunard St., Laval, Quebec, Canada, H7S2G5. slaplante@lav.boehringer-ingelheim.com
Jakalian
Araz
A
Aubry
Norman
N
Bousquet
Yves
Y
Ferland
Jean-Marie
JM
Gillard
James
J
Lefebvre
Sylvain
S
Poirier
Martin
M
Tsantrizos
Youla S
YS
Kukolj
George
G
Beaulieu
Pierre L
PL
D001562:Benzimidazoles / Q000737:chemistry* / Q000494:pharmacology; D004791:Enzyme Inhibitors / Q000737:chemistry; D016174:Hepacivirus / Q000201:enzymology*; D006801:Humans; D020128:Inhibitory Concentration 50; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D011485:Protein Binding; D012324:RNA-Dependent RNA Polymerase / Q000037:antagonists & inhibitors*; D013329:Structure-Activity Relationship; D017361:Viral Nonstructural Proteins / Q000037:antagonists & inhibitors*
D001562:Benzimidazoles; D004791:Enzyme Inhibitors; D017361:Viral Nonstructural Proteins; C031000:benzimidazole; C087036:NS-5 protein, hepatitis C virus; D012324:RNA-Dependent RNA Polymerase