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HCV NS5B polymerase-bound conformation of a soluble sulfonamide inhibitor by 2D transferred NOESY |
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| Authors: | Yannopoulos Constantin G Xu Ping Ni Feng Chan Laval Pereira Oswy Z Reddy T Jagadeeswar Das Sanjoy K Poisson Carl Nguyen-Ba Nghe Turcotte Nathalie Proulx Melanie Halab Lilianne Wang Wuyi Bédard Jean Morin Nicolas Hamel Martine Nicolas Olivier Bilimoria Darius L'Heureux Lucille Bethell Richard Dionne Gervais |
| Affiliation: | ViroChem Pharma Inc., 275 Armand-Frappier Blvd., Laval, Quebec, Canada H7V 4A7. cyannopoulos@virochempharma.com |
| Abstract: | HCV NS5B RNA-dependent RNA polymerase (NS5B) is essential for viral replication and is therefore considered a target for antiviral drug development. From our ongoing screening effort in the search for new anti-HCV agents, a novel inhibitor 1 with low microM activity against the HCV NS5B polymerase was identified. SAR analysis indicated the optimal substitution pattern required for activity, for example, carboxylic acid group at 2-position of thiophene ring. We describe the steps taken to identify and solve the bioactive conformation of derivative 6 through the use of the transferred NOE method (trNOE). |
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