1276039-75-8Relevant articles and documents
Molecular dynamics simulations and structure-based rational design lead to allosteric HCV NS5B polymerase thumb pocket 2 inhibitor with picomolar cellular replicon potency
Hucke, Oliver,Coulombe, René,Bonneau, Pierre,Bertrand-Laperle, Mégan,Brochu, Christian,Gillard, James,Joly, Marc-André,Landry, Serge,Lepage, Olivier,Llinàs-Brunet, Montse,Pesant, Marc,Poirier, Martin,Poirier, Maude,McKercher, Ginette,Marquis, Martin,Kukolj, George,Beaulieu, Pierre L.,Stammers, Timothy A.
, p. 1932 - 1943 (2014/04/03)
The design and preliminary SAR of a new series of 1H-quinazolin-4-one (QAZ) allosteric HCV NS5B thumb pocket 2 (TP-2) inhibitors was recently reported. To support optimization efforts, a molecular dynamics (MD) based modeling workflow was implemented, pro
Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype
Beaulieu, Pierre L.,Coulombe, René,Duan, Jianmin,Fazal, Gulrez,Godbout, Cédrickx,Hucke, Oliver,Jakalian, Araz,Joly, Marc-André,Lepage, Olivier,Llinàs-Brunet, Montse,Naud, Julie,Poirier, Martin,Rioux, Nathalie,Thavonekham, Bounkham,Kukolj, George,Stammers, Timothy A.
, p. 4132 - 4140 (2013/07/25)
We describe the structure-based design of a novel lead chemotype that binds to thumb pocket 2 of HCV NS5B polymerase and inhibits cell-based gt1 subgenomic reporter replicons at sub-micromolar concentrations (EC50 200 nM). This new class of po
QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS
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Page/Page column 56, (2011/04/19)
Compounds of formula I: (I) wherein X, R2, R3, R5 and R6 are defined herein, are useful as inhibitors of the hepatitis C virus NS5B polymerase.