Identification of a Novel Inhibitor of Dengue Virus Protease through Use of a Virtual Screening Drug Discovery Web Portal

Journal of Chemical Information and Modeling

Volumn 54, Issue 10, 2014, Pages 2816-2825

  Viswanathan, Usha ^a   Tomlinson, Suzanne M ^a   Fonner, John M ^b   Mock, Stephen A ^b   Watowich, Stanley J ^a  

^a University of Texas Medical Branch School of Medicine   (United States)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIGITAL LIBRARIES; HYDROGEN BONDS; MOLECULES; SUPERCOMPUTERS; VIRUSES;

CRYSTALLOGRAPHIC STRUCTURE; EXPERIMENTAL VALIDATIONS; HYDROGEN BONDING INTERACTIONS; INHIBITION CONSTANTS; NONCOMPETITIVE INHIBITIONS; SMALL MOLECULE INHIBITOR; SMALL-MOLECULE LIBRARY; WORLD COMMUNITY GRIDS;

PORTALS;

ANTIVIRUS AGENT; ENZYME INHIBITOR; LIGAND; NAPHTHALENE DERIVATIVE; NS2B PROTEIN, FLAVIVIRUS; NS3 PROTEASE, DENGUE VIRUS; PROTEIN BINDING; RECOMBINANT PROTEIN; SERINE PROTEINASE; VIRUS PROTEIN;

AMINO ACID SEQUENCE; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPUTER INTERFACE; DENGUE VIRUS; ENZYMOLOGY; ESCHERICHIA COLI; GENE EXPRESSION; GENETICS; HIGH THROUGHPUT SCREENING; HYDROGEN BOND; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR GENETICS; SEQUENCE HOMOLOGY; SPECIES DIFFERENCE; THERMODYNAMICS; WEST NILE VIRUS; X RAY CRYSTALLOGRAPHY;

AMINO ACID SEQUENCE; ANTIVIRAL AGENTS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DENGUE VIRUS; ENZYME INHIBITORS; ESCHERICHIA COLI; GENE EXPRESSION; HIGH-THROUGHPUT SCREENING ASSAYS; HYDROGEN BONDING; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; NAPHTHALENES; PROTEIN BINDING; RECOMBINANT PROTEINS; SEQUENCE HOMOLOGY, NUCLEIC ACID; SERINE ENDOPEPTIDASES; SPECIES SPECIFICITY; THERMODYNAMICS; USER-COMPUTER INTERFACE; VIRAL NONSTRUCTURAL PROTEINS; WEST NILE VIRUS;

EID: 84908260036     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500531r     Document Type: Article

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