Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1, 4- …

…, JF Blake, JP Fischer, JE Robinson, SR Spencer…

文献索引：Hendricks, Robert T.; Fell, Jay B.; Blake, James F.; Fischer, John P.; Robinson, John E.; Spencer, Stacey R.; Stengel, Peter J.; Bernacki, April L.; Leveque, Vincent J.P.; Pogam, Sophie Le; Rajyaguru, Sonal; Najera, Isabel; Josey, John A.; Harris, Jason R.; Swallow, Steven Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 13 p. 3637 - 3641

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被引用次数: 24

摘要

The importance of internal hydrogen bonding in a series of benzothiadiazine and 1, 4- benzothiazine NS5b inhibitors has been explored. Computational analysis has been used to compare the protonated vs. anionic forms of each series and we demonstrate that activity against HCV NS5b polymerase is best explained using the anionic forms. The syntheses and structure–activity relationships for a variety of new analogs are also discussed.