Virtual ligand screening of the National Cancer Institute (NCI) compound library leads to the allosteric inhibitory scaffolds of the West Nile Virus NS3 proteinase

Viruses of the genus Flavivirus are responsible for significant human disease and mortality. The N-terminal domain of the flaviviral nonstructural (NS)3 protein codes for the serine, chymotrypsin-fold proteinase (NS3pro). The presence of the nonstructural (NS)2B cofactor, which is encoded by the ups...

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Veröffentlicht in:	Assay and drug development technologies 2011-02, Vol.9 (1), p.69-78
Hauptverfasser:	Shiryaev, Sergey A, Cheltsov, Anton V, Gawlik, Katarzyna, Ratnikov, Boris I, Strongin, Alex Y
Format:	Artikel
Sprache:	eng
Schlagworte:	Allosteric proteins Binding Sites Computer Simulation Databases, Protein Drug Evaluation, Preclinical - methods Flavivirus Genetic aspects High-Throughput Screening Assays - methods Ligands Ligands (Biochemistry) Models, Chemical Original Properties Protease inhibitors Protein Binding Protein Interaction Mapping - methods RNA Helicases - antagonists & inhibitors RNA Helicases - chemistry Serine Endopeptidases - chemistry Viral Nonstructural Proteins - antagonists & inhibitors Viral Nonstructural Proteins - chemistry West Nile virus
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