I. Novel HCV NS5B polymerase inhibitors: Discovery of indole 2-carboxylic acids with C3-heterocycles

Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 18, 2011, Pages 5336-5341

  Anilkumar, Gopinadhan N ^a   Lesburg, Charles A ^a   Selyutin, Oleg ^a   Rosenblum, Stuart B ^a   Zeng, Qingbei ^a   Jiang, Yueheng ^a   Chan, Tin Yau ^a   Pu, Haiyan ^a   Vaccaro, Henry ^a   Wang, Li ^a   Bennett, Frank ^a   Chen, Kevin X ^a   Duca, Jose ^a   Gavalas, Stephen ^a   Huang, Yuhua ^a   Pinto, Patrick ^a   Sannigrahi, Mousumi ^a   Velazquez, Francisco ^a   Venkatraman, Srikanth ^a   Vibulbhan, Bancha ^a   Agrawal, Sony ^a   Butkiewicz, Nancy ^a   Feld, Boris ^a   Ferrari, Eric ^a   He, Zhiqing ^a   Jiang, Chuan Kui ^a   Palermo, Robert E ^a   McMonagle, Patricia ^a   Huang, H C ^a   Shih, Neng Yang ^a   Njoroge, George ^a   Kozlowski, Joseph A ^a   more..

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

HCV; NS5B polymerase

Indexed keywords

HETEROCYCLIC CARBOXYLIC ACID; INDOLE 2 CARBOXYLIC ACID DERIVATIVE; INDOLE DERIVATIVE; NONSTRUCTURAL PROTEIN 5B; UNCLASSIFIED DRUG;

ARTICLE; DRUG DESIGN; DRUG SYNTHESIS; ENZYME ACTIVITY; HEPATITIS C VIRUS; PROTEIN INTERACTION; STRUCTURE ACTIVITY RELATION;

CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DISCOVERY; ENZYME INHIBITORS; HETEROCYCLIC COMPOUNDS; INDOLES; MODELS, MOLECULAR; MOLECULAR STRUCTURE; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP; VIRAL NONSTRUCTURAL PROTEINS;

HEPATITIS C VIRUS;

EID: 80051916718     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.07.021     Document Type: Article

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14. 50 values were calculated from experiments with 10 serial twofold dilutions of the inhibitor in duplicate.
15. 50 values were calculated from experiments with 10 serial twofold dilutions of the inhibitor in duplicate.
16. Figures 1-3 were generated using the program PyMOL (The PyMOL Molecular Graphics System, Version 1.2r1, Schrödinger, LLC.).
17. Crystal structures of HCV NS5B in complex with 1, 7r, and 7q have been deposited in the Protein Data Bank with accession numbers 3SKH, 3SKE, 3SKA, respectively.