Identification of non-macrocyclic small molecule inhibitors against the NS3/4A serine protease of hepatitis C virus through in silico screening

Journal of Chemical Information and Modeling

Volumn 52, Issue 8, 2012, Pages 2245-2256

  Chaudhuri, Rima ^a,b,c   Lee, Hyun ^a   Truong, Lena ^a   Torres, Jaime ^a   Patel, Kavankumar ^a   Johnson, Michael E ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b University of Illinois at Chicago   (United States)

^c INSTITUTE FOR RESEARCH IN BIOMEDICINE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; DIAGNOSIS; ENZYMES; VIRUSES;

COMBINATION THERAPY; ENZYME INHIBITORS; IN-SILICO SCREENING; INHIBITORY ACTIVITY; INTERACTION MODEL; PROTEASE INHIBITOR; SMALL MOLECULE INHIBITOR; STRUCTURAL DIFFERENCES;

MOLECULES;

NS3 PROTEIN, HEPATITIS C VIRUS; PROTEINASE INHIBITOR; VIRUS PROTEIN;

ARTICLE; BIOLOGY; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG SCREENING; ENZYME ACTIVE SITE; ENZYMOLOGY; HEPATITIS C VIRUS; IC 50; METABOLISM; METHODOLOGY; MOLECULAR DOCKING; MOLECULAR LIBRARY;

CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; DRUG EVALUATION, PRECLINICAL; HEPACIVIRUS; INHIBITORY CONCENTRATION 50; MOLECULAR DOCKING SIMULATION; PROTEASE INHIBITORS; SMALL MOLECULE LIBRARIES; USER-COMPUTER INTERFACE; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84865503053     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300177p     Document Type: Article

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