p-cymene impairs SARS-CoV-2 and Influenza A (H1N1) viral replication: In silico predicted interaction with SARS-CoV-2 nucleocapsid protein and H1N1 nucleoprotein

Pharmacol Res Perspect. 2021 Aug;9(4):e00798. doi: 10.1002/prp2.798.

Abstract

Therapeutic regimens for the COVID-19 pandemics remain unmet. In this line, repurposing of existing drugs against known or predicted SARS-CoV-2 protein actions have been advanced, while natural products have also been tested. Here, we propose that p-cymene, a natural monoterpene, can act as a potential novel agent for the treatment of SARS-CoV-2-induced COVID-19 and other RNA-virus-induced diseases (influenza, rabies, Ebola). We show by extensive molecular simulations that SARS-CoV-2 C-terminal structured domain contains a nuclear localization signal (NLS), like SARS-CoV, on which p-cymene binds with low micromolar affinity, impairing nuclear translocation of this protein and inhibiting viral replication, as verified by preliminary in vitro experiments. A similar mechanism may occur in other RNA-viruses (influenza, rabies and Ebola), also verified in vitro for influenza, by interaction of p-cymene with viral nucleoproteins, and structural modification of their NLS site, weakening its interaction with importin A. This common mechanism of action renders therefore p-cymene as a possible antiviral, alone, or in combination with other agents, in a broad spectrum of RNA viruses, from SARS-CoV-2 to influenza A infections.

Keywords: Ebola; SARS-CoV-2; importin A; influenza A; nucleocapsid protein; nucleoprotein; p-cymene; rabies.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacology*
  • Cell Nucleus / metabolism
  • Cell Nucleus / virology
  • Chlorocebus aethiops
  • Cymenes / chemistry
  • Cymenes / pharmacology*
  • Dogs
  • Humans
  • Influenza A Virus, H1N1 Subtype / drug effects
  • Influenza A Virus, H1N1 Subtype / physiology*
  • Madin Darby Canine Kidney Cells
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Nuclear Localization Signals
  • Nucleocapsid Proteins / chemistry
  • Nucleocapsid Proteins / metabolism*
  • Protein Conformation
  • Protein Domains
  • Protein Transport
  • SARS-CoV-2 / drug effects
  • SARS-CoV-2 / physiology*
  • Vero Cells
  • Virus Replication / drug effects

Substances

  • Antiviral Agents
  • Cymenes
  • Nuclear Localization Signals
  • Nucleocapsid Proteins
  • 4-cymene