1154599-55-9Relevant academic research and scientific papers
I. Novel HCV NS5B polymerase inhibitors: Discovery of indole 2-carboxylic acids with C3-heterocycles
Anilkumar, Gopinadhan N.,Lesburg, Charles A.,Selyutin, Oleg,Rosenblum, Stuart B.,Zeng, Qingbei,Jiang, Yueheng,Chan, Tin-Yau,Pu, Haiyan,Vaccaro, Henry,Wang, Li,Bennett, Frank,Chen, Kevin X.,Duca, Jose,Gavalas, Stephen,Huang, Yuhua,Pinto, Patrick,Sannigrahi, Mousumi,Velazquez, Francisco,Venkatraman, Srikanth,Vibulbhan, Bancha,Agrawal, Sony,Butkiewicz, Nancy,Feld, Boris,Ferrari, Eric,He, Zhiqing,Jiang, Chuan-Kui,Palermo, Robert E.,McMonagle, Patricia,Huang,Shih, Neng-Yang,Njoroge, George,Kozlowski, Joseph A.
, p. 5336 - 5341 (2011/10/09)
SAR development of indole-based palm site inhibitors of HCV NS5B polymerase exemplified by initial indole lead 1 (NS5B IC50 = 0.9 μM, replicon EC50 >100 μM) is described. Structure-based drug design led to the incorporation of novel heterocyclic moieties at the indole C3-position which formed a bidentate interaction with the protein backbone. SAR development resulted in leads 7q (NS5B IC50 = 0.032 μM, replicon EC50 = 1.4 μM) and 7r (NS5B IC50 = 0.017 μM, replicon EC50 = 0.3 μM) with improved enzyme and replicon activity.
