Discovery of a Non-Peptidic Inhibitor of West Nile Virus NS3 Protease by High-Throughput Docking
about
Computational methods in drug discoverySwissParam: A fast force field generation tool for small organic moleculesActivation of the West Nile virus NS3 protease: Molecular dynamics evidence for a conformational selection mechanismStructure–activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinaseNMR Analysis of the Dynamic Exchange of the NS2B Cofactor between Open and Closed Conformations of the West Nile Virus NS2B-NS3 ProteaseSerotype-Specific Structural Differences in the Protease-Cofactor Complexes of the Dengue Virus FamilyDiscovery of plasmepsin inhibitors by fragment-based docking and consensus scoringSynthesis and in vitro evaluation of West Nile virus protease inhibitors based on the 2-{6-[2-(5-phenyl-4H-{1,2,4]triazol-3-ylsulfanyl)acetylamino]benzothiazol-2-ylsulfanyl}acetamide scaffold.New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.Isolation and characterization of selective and potent human Fab inhibitors directed to the active-site region of the two-component NS2B-NS3 proteinase of West Nile virus.Design, synthesis, and in vitro evaluation of potential West Nile virus protease inhibitors based on the 1-oxo-1,2,3,4-tetrahydroisoquinoline and 1-oxo-1,2-dihydroisoquinoline scaffolds.Virtual ligand screening of the National Cancer Institute (NCI) compound library leads to the allosteric inhibitory scaffolds of the West Nile Virus NS3 proteinase.Small molecule drug discovery for Dengue and West Nile viruses: applying experience from hepatitis C virus.Discovery, synthesis, and in vitro evaluation of West Nile virus protease inhibitors based on the 9,10-dihydro-3H,4aH-1,3,9,10a-tetraazaphenanthren-4-one scaffold.The flavivirus protease as a target for drug discovery.Synthesis and in vitro evaluation of West Nile virus protease inhibitors based on the 1,3,4,5-tetrasubstituted 1H-pyrrol-2(5H)-one scaffold.West Nile virus drug discovery.Challenges and advances in computational docking: 2009 in review.Structural characterization of the linked NS2B-NS3 protease of Zika virus.Solution NMR Spectroscopy in Target-Based Drug Discovery.An Overview of Current Approaches Toward the Treatment and Prevention of West Nile Virus Infection.Discovery of Rho-kinase inhibitors by docking-based virtual screening.Structural and functional parameters of the flaviviral protease: a promising antiviral drug target.Structure-guided fragment-based in silico drug design of dengue protease inhibitors.Binding mode of the activity-modulating C-terminal segment of NS2B to NS3 in the dengue virus NS2B-NS3 protease.Engineering [Ln(DPA)3]3− binding sites in proteins: a widely applicable method for tagging proteins with lanthanide ions
P2860
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P2860
Discovery of a Non-Peptidic Inhibitor of West Nile Virus NS3 Protease by High-Throughput Docking
description
2009 nî lūn-bûn
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2009 թուականին հրատարակուած գիտական յօդուած
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2009 թվականին հրատարակված գիտական հոդված
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2009年の論文
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2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
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name
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@ast
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@en
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@nl
type
label
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@ast
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@en
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@nl
altLabel
Discovery of a non-peptidic in ...... ase by high-throughput docking
@en
prefLabel
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@ast
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@en
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@nl
P2093
P2860
P1476
Discovery of a Non-Peptidic In ...... ase by High-Throughput Docking
@en
P2093
Christophe Bodenreider
Danzhi Huang
Dariusz Ekonomiuk
David Beer
Kiyoshi Ozawa
Siew Pheng Lim
Thomas H Keller
Viral Patel
Xun-Cheng Su
P2860
P356
10.1371/JOURNAL.PNTD.0000356
P407
P577
2009-01-01T00:00:00Z