Key steps in the structure-based optimization of the hepatitis C virus NS3/4A protease inhibitor SCH503034

Journal of Synchrotron Radiation

Volumn 15, Issue 3, 2008, Pages 204-207

  Madison, Vincent ^a   Prongay, Andrew J ^a   Guo, Zhuyan ^a   Yao, Nanhua ^a   Pichardo, John ^a   Fischmann, Thierry ^a   Strickland, Corey ^a   Myers Jr, Joseph ^a   Weber, Patricia C ^a   Beyer, Brian M ^a   Ingram, Richard ^a   Hong, Zhi ^a   Prosise, Winifred W ^a   Ramanathan, Lata ^a   Taremi, S Shane ^a   Yarosh Tomaine, Taisa ^a   Zhang, Rumin ^a   Senior, Mary ^a   Yang, Rong Sheng ^a   Malcolm, Bruce ^a   Arasappan, Ashok ^a   Bennett, Frank ^a   Bogen, Stephane L ^a   Chen, Kevin ^a   Jao, Edwin ^a   Liu, Yi Tsung ^a   Lovey, Raymond G ^a   Saksena, Anil K ^a   Venkatraman, Srikanth ^a   Girijavallabhan, Viyyoor ^a   Njoroge, F George ^a   more..

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

HCV protease; Hydrophobic binding; Ketoamides; Structure based design

Indexed keywords

BINDING ENERGY; BINDING SITES; ENZYME ACTIVITY; HYDROPHOBICITY; MOLECULAR STRUCTURE; VIRUSES;

HYDROPHOBIC BINDING; KETOAMIDES; STRUCTURE-BASED DESIGNS; TRIPEPTIDE INHIBITORS;

ENZYME INHIBITION; VIRUSES;

ACTIVE SITE; CLINICAL TRIAL; HCV PROTEASE; HEPATITIS C VIRUS; HIGH RESOLUTION; HYDROPHOBIC BINDING; HYDROPHOBIC INTERACTIONS; KETOAMIDES; PROTEASE INHIBITOR; STRUCTURE-BASED; SURFACE AREA; TRIPEPTIDE;

DRUG DERIVATIVE; N (3 AMINO 1 (CYCLOBUTYLMETHYL) 2,3 DIOXOPROPYL) 3 (2 ((((1,1 DIMETHYLETHYL)AMINO)CARBONYL)AMINO) 3,3 DIMETHYL 1 OXOBUTYL) 6,6 DIMETHYL 3 AZABICYCLO(3.1.0)HEXAN 2 CARBOXAMIDE; N-(3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL)-3-(2-((((1,1-DIMETHYLETHYL)AMINO)CARBONYL)AMINO)-3,3-DIMETHYL-1-OXOBUTYL)-6,6-DIMETHYL-3-AZABICYCLO(3.1.0)HEXAN-2-CARBOXAMIDE; NS3 PROTEIN, HEPATITIS C VIRUS; NS4A PROTEIN, FLAVIVIRUS; PROLINE; PROTEINASE INHIBITOR; VIRUS PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; ENZYMOLOGY; HEPATITIS C VIRUS;

HEPACIVIRUS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROLINE; PROTEASE INHIBITORS; VIRAL NONSTRUCTURAL PROTEINS;

EID: 42449131402     PISSN: 09090495     EISSN: 16005775     Source Type: Journal    
DOI: 10.1107/S0909049507064229     Document Type: Article

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