Structural characterization of the linked NS2B‐NS3 protease of Zika virus
Sign Up to like & getrecommendations! Published in 2017 at "FEBS Letters"
DOI: 10.1002/1873-3468.12741
Abstract: The Zika virus (ZIKV) NS2B‐NS3 protease is an important drug target. The conventional flaviviral protease constructs used for structural studies contain the NS2B cofactor region linked to the NS3 protease domain via a glycine‐rich flexible… read more here.
Keywords: ns3 protease; protease; ns2b ns3; linker ... See more keywords
Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200518
Abstract: Cyclization of small molecules is a widely applied strategy in drug design for ligand optimization to improve affinity, as it eliminates the putative need for structural preorganization of the ligand before binding, or to improve… read more here.
Keywords: virus ns2b; macrocyclic zika; zika virus; protease inhibitor ... See more keywords
Identification of potential Zika virus NS2B-NS3 protease inhibitors via docking, molecular dynamics and consensus scoring-based virtual screening
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4076-6
Abstract: AbstractThe Zika virus has recently become a subject of acute interest after the discovery of the link between viral infection and microcephaly in infants. Though a number of treatments are under active investigation, there are… read more here.
Keywords: zika virus; ns3 protease; ns2b ns3; molecular dynamics ... See more keywords
Extended substrate specificity and first potent irreversible inhibitor/activity‐based probe design for Zika virus NS2B‐NS3 protease
Sign Up to like & getrecommendations! Published in 2017 at "Antiviral Research"
DOI: 10.1016/j.antiviral.2016.12.018
Abstract: &NA; Zika virus is spread by Aedes mosquitoes and is linked to acute neurological disorders, especially to microcephaly in newborn children and Guillan‐Barré Syndrome. The NS2B‐NS3 protease of this virus is responsible for polyprotein processing… read more here.
Keywords: zika virus; ns2b ns3; ns3 protease; substrate ... See more keywords
Structure‐based discovery of clinically approved drugs as Zika virus NS2B‐NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo
Sign Up to like & getrecommendations! Published in 2017 at "Antiviral Research"
DOI: 10.1016/j.antiviral.2017.07.007
Abstract: &NA; Zika virus (ZIKV) infection may be associated with severe complications in fetuses and adults, but treatment options are limited. We performed an in silico structure‐based screening of a large chemical library to identify potential… read more here.
Keywords: zika virus; structure based; ns3 protease; ns2b ns3 ... See more keywords
Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Sign Up to like & getrecommendations! Published in 2020 at "Antiviral research"
DOI: 10.1016/j.antiviral.2020.104707
Abstract: Zika virus (ZIKV) NS2B-NS3 protease is a validated antiviral target as it is essential for maturation of viral proteins. However, its negatively charged active site hinders the development of orthosteric small-molecule inhibitors. Fragment-based drug discovery… read more here.
Keywords: ns3 protease; protease; small molecule; ns2b ns3 ... See more keywords
Identification of a small compound that specifically inhibits Zika virus in vitro and in vivo by targeting the NS2B-NS3 protease.
Sign Up to like & getrecommendations! Published in 2022 at "Antiviral research"
DOI: 10.1016/j.antiviral.2022.105255
Abstract: Zika virus (ZIKV) has rapid become a global threat, but no ZIKV-specific vaccines or drugs are currently available. In this study, inhibitors of ZIKV NS2B-NS3 protease were screened from a library containing 4,452 compound fragments.… read more here.
Keywords: zika virus; small compound; ns2b ns3; compound ... See more keywords
Increased activity of unlinked Zika virus NS2B/NS3 protease compared to linked Zika virus protease.
Sign Up to like & getrecommendations! Published in 2017 at "Biochemical and biophysical research communications"
DOI: 10.1016/j.bbrc.2017.03.108
Abstract: Zika virus (ZIKV) is a flavivirus spread by daytime-active Aedes spp. mosquitoes such as A. aegypti and A. albopictus. Previously thought to be a mild infection, the latest ZIKV outbreak in the Americas is causally associated with… read more here.
Keywords: zikv protease; ns3 protease; protease; ns2b ns3 ... See more keywords
Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand- and structure-based approach
Sign Up to like & getrecommendations! Published in 2018 at "Computational biology and chemistry"
DOI: 10.1016/j.compbiolchem.2018.09.010
Abstract: The NS2B-NS3 protease is essential for the replication process of Dengue Virus, which make it an attractive target for anti-virus drugs. Since a considerable number of NS2B-NS3 protease inhibitors have been reported so far, it… read more here.
Keywords: dengue virus; ns2b ns3; ns3 protease; structure ... See more keywords
Pan-NS3 protease inhibitors of hepatitis C virus based on an R3-elongated pyrazinone scaffold.
Sign Up to like & getrecommendations! Published in 2018 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2018.02.032
Abstract: Herein, we present the design and synthesis of 2(1H)-pyrazinone based HCV NS3 protease inhibitors and show that elongated R3 urea substituents were associated with increased inhibitory potencies over several NS3 protein variants. The inhibitors are… read more here.
Keywords: inhibitors hepatitis; ns3 protease; pyrazinone; pan ns3 ... See more keywords
Structure-thermodynamics-relationships of hepatitis C viral NS3 protease inhibitors.
Sign Up to like & getrecommendations! Published in 2020 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2020.112195
Abstract: Thermodynamic parameters were determined for structurally-related inhibitors of HCV NS3 protease to assess how binding entropies and enthalpies vary with incremental changes at the P2 and P3 inhibitor subsites. Changing the heterocyclic substituent at P2… read more here.
Keywords: ns3 protease; affinity; thermodynamics; binding enthalpies ... See more keywords