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Compounds derived from Humulus lupulus inhibit SARS-CoV-2 papain-like protease and virus replication.

Anna-Maria Herzog1, Katharina Göbel1, Luigi Marongiu2

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Hop compounds like xanthohumol (XN) inhibit SARS-CoV-2 papain-like protease (PLpro), a key viral target. These natural compounds also impede viral replication, showing potential for new antiviral drug development.

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Area of Science:

  • Virology
  • Natural Product Chemistry
  • Drug Discovery

Background:

  • Natural compounds possess antiviral properties.
  • Humulus lupulus (hop) contains metabolites with antiviral activity.
  • Xanthohumol (XN) from hops inhibits SARS-CoV-2 main protease (Mpro).

Purpose of the Study:

  • Investigate the effect of XN and its derivatives (isoxanthohumol, 6-prenylnaringenin, 8-prenylnaringenin) on SARS-CoV-2 papain-like protease (PLpro).
  • Evaluate the antiviral activity of these hop compounds against SARS-CoV-2 replication in host cells.

Main Methods:

  • In silico docking analysis to predict binding affinity to PLpro active site.
  • In vitro studies including recombinant PLpro characterization, deISGylation assays, and kinetic analyses.
  • Assessment of antiviral activity using fluorescently labeled SARS-CoV-2 in Caco-2 host cells.

Main Results:

  • Hop compounds bind to the SARS-CoV-2 PLpro active site, inhibiting its function.
  • Inhibition of PLpro by hop-derived compounds observed with IC50 values ranging from 59-162 µM.
  • Xanthohumol (XN) and 6-prenylnaringenin (6-PN) significantly impede viral replication with IC50 values of 3.3 µM and 7.3 µM, respectively.

Conclusions:

  • Hop-derived compounds, including XN, inhibit both SARS-CoV-2 Mpro and PLpro.
  • SARS-CoV-2 PLpro is a promising therapeutic target for antiviral drug development.
  • Findings support the development of novel hop-derived antiviral drugs against human coronaviruses.