scholarly journals Activation of the West Nile virus NS3 protease: Molecular dynamics evidence for a conformational selection mechanism

2009 ◽  
Vol 18 (5) ◽  
pp. 1003-1011 ◽  
Author(s):  
Dariusz Ekonomiuk ◽  
Amedeo Caflisch
Keyword(s):  
Molecular Dynamics ◽  
West Nile Virus ◽  
Selection Mechanism ◽  
The West ◽  
West Nile ◽  
Conformational Selection ◽  
Ns3 Protease

scholarly journals Mutagenesis of the West Nile virus NS2B cofactor domain reveals two regions essential for protease activity

2008 ◽  
Vol 89 (4) ◽  
pp. 1010-1014 ◽  
Author(s):  
Keith J. Chappell ◽  
Martin J. Stoermer ◽  
David P. Fairlie ◽  
Paul R. Young
Keyword(s):  
West Nile Virus ◽  
Proteolytic Activity ◽  
The West ◽  
West Nile ◽  
Mutagenesis Screen ◽  
Antiviral Compounds ◽  
Protease Activation ◽  
Primary Focus ◽  
Ns3 Protease

The flavivirus NS2B/NS3 protease has received considerable attention as a target for the development of antiviral compounds. While substrate based inhibitors have been the primary focus to date, an approach focussing on NS2B cofactor displacement could prove to be an effective alternative. To understand better the role of the NS2B cofactor in protease activation, we conducted an alanine mutagenesis screen throughout the 42-residue central cofactor domain (NS2B51–92) of West Nile virus (WNV). Two sites critical for proteolytic activity were identified (NS2B59–62 and NS2B75–87), where the majority of substitutions were found to significantly decrease proteolytic activity of a recombinant WNV NS2B/NS3 protease. These findings provide mechanistic insights into the structural and functional role that the cofactor may play in the substrate-bound and free protease complexes as well as providing novel sites for targeting new antiviral inhibitors.

Novel agmatine dipeptide inhibitors against the West Nile virus NS2B/NS3 protease: A P3 and N-cap optimization study

2013 ◽  
Vol 62 ◽  
pp. 199-205 ◽  
Author(s):  
Huichang Annie Lim ◽  
Melgious Jin Yan Ang ◽  
Joma Joy ◽  
Anders Poulsen ◽  
Wenshi Wu ◽  
...  
Keyword(s):  
West Nile Virus ◽  
The West ◽  
West Nile ◽  
Optimization Study ◽  
Ns3 Protease

scholarly journals Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus NS2B-NS3 Protease

ChemMedChem ◽  
2013 ◽  
Vol 8 (2) ◽  
pp. 231-241 ◽  
Author(s):  
M. Zouhir Hammamy ◽  
Caroline Haase ◽  
Maya Hammami ◽  
Rolf Hilgenfeld ◽  
Torsten Steinmetzer
Keyword(s):  
West Nile Virus ◽  
The West ◽  
West Nile ◽  
Peptidomimetic Inhibitors ◽  
Ns3 Protease

scholarly journals NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease

FEBS Journal ◽  
2009 ◽  
Vol 276 (15) ◽  
pp. 4244-4255 ◽  
Author(s):  
Xun-Cheng Su ◽  
Kiyoshi Ozawa ◽  
Hiromasa Yagi ◽  
Siew P. Lim ◽  
Daying Wen ◽  
...  
Keyword(s):  
West Nile Virus ◽  
Molecular Mass ◽  
The West ◽  
West Nile ◽  
Nmr Study ◽  
Ns3 Protease

scholarly journals Using Accelerated Molecular Dynamics Simulation to elucidate the effects of the T198F mutation on the molecular flexibility of the West Nile virus envelope protein

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Renan Patrick da Penha Valente ◽  
Rafael Conceição de Souza ◽  
Gabriela de Medeiros Muniz ◽  
João Elias Vidueira Ferreira ◽  
Ricardo Morais de Miranda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
West Nile Virus ◽  
Molecular Dynamics Simulation ◽  
Envelope Protein ◽  
Dynamics Simulation ◽  
Virus Envelope ◽  
The West ◽  
West Nile ◽  
Accelerated Molecular Dynamics ◽  
Virus Envelope Protein

scholarly journals NMR Analysis of the Dynamic Exchange of the NS2B Cofactor between Open and Closed Conformations of the West Nile Virus NS2B-NS3 Protease

2009 ◽  
Vol 3 (12) ◽  
pp. e561 ◽  
Author(s):  
Xun-Cheng Su ◽  
Kiyoshi Ozawa ◽  
Ruhu Qi ◽  
Subhash G. Vasudevan ◽  
Siew P. Lim ◽  
...  
Keyword(s):  
West Nile Virus ◽  
Nmr Analysis ◽  
The West ◽  
West Nile ◽  
Dynamic Exchange ◽  
Ns3 Protease

scholarly journals Identification of a 3-Alkylpyridinium Compound from the Red Sea Sponge Amphimedon chloros with In Vitro Inhibitory Activity against the West Nile Virus NS3 Protease

Molecules ◽  
2018 ◽  
Vol 23 (6) ◽  
pp. 1472 ◽  
Author(s):  
Aubrie O’Rourke ◽  
Stephan Kremb ◽  
Brendan Duggan ◽  
Salim Sioud ◽  
Najeh Kharbatia ◽  
...  
Keyword(s):  
West Nile Virus ◽  
Red Sea ◽  
Inhibitory Activity ◽  
The West ◽  
West Nile ◽  
Ns3 Protease
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