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[HTML][HTML] Probing allosteric communication with combined molecular dynamics simulations and network analysis
Understanding the allosteric mechanisms within biomolecules involved in diseases is of
paramount importance for drug discovery. Indeed, characterizing communication pathways …
paramount importance for drug discovery. Indeed, characterizing communication pathways …
Advances in computational methods to discover new NS2B-NS3 inhibitors useful against dengue and zika viruses
IJ dos Santos Nascimento… - Current Topics in …, 2022 - benthamdirect.com
The Flaviviridae virus family consists of the genera Hepacivirus, Pestivirus, and Flavivirus,
with approximately 70 viral types that use arthropods as vectors. Among these diseases …
with approximately 70 viral types that use arthropods as vectors. Among these diseases …
Aminopyrimidine derivatives as multiflavivirus antiviral compounds identified from a consensus virtual screening approach
Around three billion people are at risk of infection by the dengue virus (DENV) and
potentially other flaviviruses. Worldwide outbreaks of DENV, Zika virus (ZIKV), and yellow …
potentially other flaviviruses. Worldwide outbreaks of DENV, Zika virus (ZIKV), and yellow …
Advances in drug discovery of flavivirus NS2B-NS3pro serine protease inhibitors for the treatment of Dengue, Zika, and West Nile viruses
EE João, JR Lopes, BFR Guedes… - Bioorganic …, 2024 - Elsevier
Flaviviruses are vector-borne RNA viruses that seriously threaten global public health due to
their high transmission index in humans, mainly in endemic areas. They spread infectious …
their high transmission index in humans, mainly in endemic areas. They spread infectious …
Functional loop dynamics and characterization of the inactive state of the NS2B-NS3 dengue protease due to allosteric inhibitor binding
NA Jonniya, P Kar - Journal of Chemical Information and …, 2022 - ACS Publications
Dengue virus, a flavivirus that causes dengue shock syndrome and dengue hemorrhagic
fever, is currently prevalent worldwide. A two-component protease (NS2B-NS3) is essential …
fever, is currently prevalent worldwide. A two-component protease (NS2B-NS3) is essential …
[HTML][HTML] Orthoflaviviral Inhibitors in Clinical Trials, Preclinical In Vivo Efficacy Targeting NS2B-NS3 and Cellular Antiviral Activity via Competitive Protease Inhibition
L Cavina, MJ Bouma, D Gironés, MC Feiters - Molecules, 2024 - mdpi.com
Orthoflaviviruses, including zika (ZIKV), West Nile (WNV), and dengue (DENV) virus, induce
severely debilitating infections and contribute significantly to the global disease burden, yet …
severely debilitating infections and contribute significantly to the global disease burden, yet …
Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors
The Zika viral protease NS2B-NS3 is essential for the cleavage of viral polyprotein precursor
into individual structural and non-structural (NS) proteins and is therefore an attractive drug …
into individual structural and non-structural (NS) proteins and is therefore an attractive drug …
In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease
YT Wang, YC Hsieh, TY Wu - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
The Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human
health because of the lack of effective antiviral drugs. Although the NS2B–NS3 protease of …
health because of the lack of effective antiviral drugs. Although the NS2B–NS3 protease of …
Structural Insights into Plasticity and Discovery of Flavonoid Allosteric Inhibitors of Flavivirus NS2B–NS3 Protease
Flaviviruses are among the most critical pathogens in tropical regions; they cause various
severe diseases in develo** countries but are not restricted to these countries. The …
severe diseases in develo** countries but are not restricted to these countries. The …
Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors
F von Delft, X Ni, R Richardson, A Godoy, M Ferla… - 2025 - researchsquare.com
The Zika viral protease NS2B-NS3 is essential for the cleavage of viral polyprotein precursor
into individual structural and non-structural (NS) proteins and is therefore an attractive drug …
into individual structural and non-structural (NS) proteins and is therefore an attractive drug …