Cargando…

Discovery of a Non-Peptidic Inhibitor of West Nile Virus NS3 Protease by High-Throughput Docking

BACKGROUND: The non-structural 3 protease (NS3pro) is an essential flaviviral enzyme and therefore one of the most promising targets for drug development against West Nile virus (WNV) and dengue infections. METHODOLOGY: In this work, a small-molecule inhibitor of the WNV NS3pro has been identified b...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ekonomiuk, Dariusz, Su, Xun-Cheng, Ozawa, Kiyoshi, Bodenreider, Christophe, Lim, Siew Pheng, Yin, Zheng, Keller, Thomas H., Beer, David, Patel, Viral, Otting, Gottfried, Caflisch, Amedeo, Huang, Danzhi
Formato:	Texto
Lenguaje:	English
Publicado:	Public Library of Science 2009
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2613028/ https://www.ncbi.nlm.nih.gov/pubmed/19159012 http://dx.doi.org/10.1371/journal.pntd.0000356

Ejemplares similares

NMR Analysis of the Dynamic Exchange of the NS2B Cofactor between Open and Closed Conformations of the West Nile Virus NS2B-NS3 Protease
por: Su, Xun-Cheng, et al.
Publicado: (2009)

The Free Energy Landscape of Small Molecule Unbinding
por: Huang, Danzhi, et al.
Publicado: (2011)

Phosphonate inhibitors of West Nile virus NS2B/NS3 protease
por: Skoreński, Marcin, et al.
Publicado: (2018)

Structure-Based Design of Inhibitors of the m(6)A-RNA Writer Enzyme METTL3
por: Bedi, Rajiv Kumar, et al.
Publicado: (2023)

Effects of NS2B-NS3 protease and furin inhibition on West Nile and Dengue virus replication
por: Kouretova, Jenny, et al.
Publicado: (2017)

West Nile Virus Drug Discovery
por: Lim, Siew Pheng, et al.
Publicado: (2013)

Structure‐Based Macrocyclization of Substrate Analogue NS2B‐NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses
por: Braun, Niklas J., et al.
Publicado: (2020)

High Throughput Screening Targeting the Dengue NS3-NS5 Interface Identifies Antivirals against Dengue, Zika and West Nile Viruses
por: Yang, Sundy N. Y., et al.
Publicado: (2022)

Designing cyclic peptide inhibitor of dengue virus NS3-NS2B protease by using molecular docking approach
por: Tambunan, Usman Sumo Friend, et al.
Publicado: (2010)

The proofreading exonuclease subunit ε of Escherichia coli DNA polymerase III is tethered to the polymerase subunit α via a flexible linker
por: Ozawa, Kiyoshi, et al.
Publicado: (2008)

A conformational switch high-throughput screening assay and allosteric inhibition of the flavivirus NS2B-NS3 protease
por: Brecher, Matthew, et al.
Publicado: (2017)

Main protease mutants of SARS-CoV-2 variants remain susceptible to nirmatrelvir
por: Ullrich, Sven, et al.
Publicado: (2022)

Molecular Modeling and Docking Study to Elucidate Novel Chikungunya Virus nsP2 Protease Inhibitors
por: Agarwal, T., et al.
Publicado: (2015)

Molecular docking study of P4-Benzoxaborolesubstituted ligands as inhibitors of HCV NS3/4A protease
por: Wadood, Abdul, et al.
Publicado: (2013)

Evaluation of Melongosides as Potential Inhibitors of NS2B-NS3 Activator-Protease of Dengue Virus (Serotype 2) by Using Molecular Docking and Dynamics Simulation Approach
por: Biswas, Partha, et al.
Publicado: (2022)

Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies
por: Purohit, Priyanka, et al.
Publicado: (2022)

Hydroxychloroquine Inhibits Zika Virus NS2B-NS3 Protease
por: Kumar, Ankur, et al.
Publicado: (2018)

Rapid ex vivo reverse genetics identifies the essential determinants of prion protein toxicity
por: Reimann, Regina R., et al.
Publicado: (2022)

Fragment-Based Docking: Development of the CHARMMing Web User Interface as a Platform for Computer-Aided Drug Design
por: Pevzner, Yuri, et al.
Publicado: (2014)

Allosteric Inhibitors of Zika Virus NS2B-NS3 Protease Targeting Protease in “Super-Open” Conformation
por: Meewan, Ittipat, et al.
Publicado: (2023)

PARP1 ADP-ribosylates lysine residues of the core histone tails
por: Messner, Simon, et al.
Publicado: (2010)

Molecular screening of phytochemicals from Amelanchier Alnifolia against HCV NS3 protease/helicase using computational docking techniques
por: Khan, Mahim, et al.
Publicado: (2013)

Identification of NS2 determinants stimulating intrinsic HCV NS2 protease activity
por: Isken, Olaf, et al.
Publicado: (2022)

The unstructured C-terminus of the τ subunit of Escherichia coli DNA polymerase III holoenzyme is the site of interaction with the α subunit
por: Jergic, Slobodan, et al.
Publicado: (2007)

Identification of NS2B-NS3 Protease Inhibitors for Therapeutic Application in ZIKV Infection: A Pharmacophore-Based High-Throughput Virtual Screening and MD Simulations Approaches
por: Rehman, Hafiz Muzzammel, et al.
Publicado: (2023)

Potential Dual Role of West Nile Virus NS2B in Orchestrating NS3 Enzymatic Activity in Viral Replication
por: Tseng, Alanna C., et al.
Publicado: (2021)

Zika Virus Targeting by Screening Inhibitors against NS2B/NS3 Protease
por: Choudhry, Hani, et al.
Publicado: (2019)

Development of NS2B-NS3 protease inhibitor that impairs Zika virus replication()
por: Lin, Wen-Wei, et al.
Publicado: (2023)

4-Thiazolidinone coumarin derivatives as two-component NS2B/NS3 DENV flavivirus serine protease inhibitors: synthesis, molecular docking, biological evaluation and structure–activity relationship studies
por: Yusufzai, Samina Khan, et al.
Publicado: (2018)

Hepatitis C Viral NS3-4A Protease Activity Is Enhanced by the NS3 Helicase
por: Beran, Rudolf K. F., et al.
Publicado: (2008)

The New High Resolution Crystal Structure of NS2B-NS3 Protease of Zika Virus
por: Badshah, Syed Lal, et al.
Publicado: (2017)

Structure of the NS2B-NS3 protease from Zika virus after self-cleavage
por: Phoo, Wint Wint, et al.
Publicado: (2016)

Synthetic bulky NS4A peptide variants bind to and inhibit HCV NS3 protease
por: El-Araby, Moustafa E., et al.
Publicado: (2020)

Therapeutic Potential of Antiviral Peptides against the NS2B/NS3 Protease of Zika Virus
por: Hossain, Md. Shahadat, et al.
Publicado: (2023)

Molecular docking and simulation of Zika virus NS3 helicase
por: Badshah, Syed Lal, et al.
Publicado: (2019)

Investigation of some benzoquinazoline and quinazoline derivatives as novel inhibitors of HCV-NS3/4A protease: biological, molecular docking and QSAR studies
por: Abuelizz, Hatem A., et al.
Publicado: (2020)

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
por: O’Rourke, Aubrie, et al.
Publicado: (2018)

Monitoring Anti-NS1 Antibodies in West Nile Virus-Infected and Vaccinated Horses
por: Rebollo, Belén, et al.
Publicado: (2018)

Maintenance of a host-specific minority mutation in the West Nile virus NS3
por: Caldwell, Haley S., et al.
Publicado: (2023)

Conversion of an amide to a high-energy thioester by Staphylococcus aureus sortase A is powered by variable binding affinity for calcium
por: Wang, Xiao, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_gg7dh8amtpu2m86im17e9v8u6h