Virtual ligand screening of the national cancer institute (NCI) compound library leads to the allosteric inhibitory scaffolds of the west nile virus NS3 proteinase

Assay and Drug Development Technologies

Volumn 9, Issue 1, 2011, Pages 69-78

  Shiryaev, Sergey A ^a   Cheltsov, Anton V ^b   Gawlik, Katarzyna ^a   Ratnikov, Boris I ^a   Strongin, Alex Y ^a  

^a BURNHAM INSTITUTE   (United States)

^b Q MOL LLC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIVIRUS AGENT; FURIN; NONSTRUCTURAL PROTEIN 2; NONSTRUCTURAL PROTEIN 3;

ANTIVIRAL ACTIVITY; ARTICLE; DRUG ACTIVITY; DRUG BINDING; DRUG CYTOTOXICITY; DRUG MECHANISM; DRUG POTENCY; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME ACTIVITY; HUMAN; IC 50; NATIONAL HEALTH ORGANIZATION; NONHUMAN; RNA REPLICATION; VIRTUAL LIGAND SCREENING; VIRUS REPLICATION; WEST NILE FLAVIVIRUS;

BINDING SITES; COMPUTER SIMULATION; DATABASES, PROTEIN; DRUG EVALUATION, PRECLINICAL; HIGH-THROUGHPUT SCREENING ASSAYS; LIGANDS; MODELS, CHEMICAL; PROTEIN BINDING; PROTEIN INTERACTION MAPPING; RNA HELICASES; SERINE ENDOPEPTIDASES; VIRAL NONSTRUCTURAL PROTEINS;

EID: 79951718064     PISSN: 1540658X     EISSN: None     Source Type: Journal    
DOI: 10.1089/adt.2010.0309     Document Type: Article

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