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10.1016/j.virol.2021.01.015

http://scihub22266oqcxt.onion/10.1016/j.virol.2021.01.015
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suck abstract from ncbi


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pmid33571798      Virology 2021 ; 556 (ä): 133-139
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  • Exploring the efficacy of naturally occurring biflavone based antioxidants towards the inhibition of the SARS-CoV-2 spike glycoprotein mediated membrane fusion #MMPMID33571798
  • Mondal S; Karmakar A; Mallick T; Begum NA
  • Virology 2021[Apr]; 556 (ä): 133-139 PMID33571798show ga
  • Molecular docking studies were done to show the inhibitory effect of two naturally occurring biflavone based anti-HIV agents, hinokiflavone and robustaflavone against the SARS-CoV-2 spike (S) protein mediated attack on the human ACE2 receptors via membrane fusion mechanism. Nefamostat, a FDA approved drug, well-known as a serine protease inhibitor for MERS-CoV infection, was used as the reference compound. Both the biflavones, showed potential as inhibitors for SARS-CoV-2 S protein-mediated viral entry. The binding affinities of these naturally occurring biflavones for RBD-S2 subunit protein of SARS-CoV-2 were explored for the first time. Such binding affinities play a critical role in the virus-cell membrane fusion process. These biflavones are able to interact more strongly with the residues of heptad repeat 1 and 2 (HR1 and HR2) regions of S2 protein of SARS-CoV-2 compared to nefamostat, and thus, these biflavones can effectively block the formation of six-helix bundle core fusion structure (6-HB) leading to the inhibition of virus-target cell-membrane fusion.
  • |Antioxidants/chemistry/*pharmacology[MESH]
  • |Antiviral Agents/chemistry/*pharmacology[MESH]
  • |Biflavonoids/chemistry/*pharmacology[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Molecular Structure[MESH]
  • |Protein Binding[MESH]
  • |Protein Domains[MESH]
  • |SARS-CoV-2/drug effects/metabolism[MESH]
  • |Spike Glycoprotein, Coronavirus/antagonists & inhibitors/chemistry/*metabolism[MESH]


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