A Novel Class of Norovirus Inhibitors Targeting the Viral Protease with Potent Antiviral Activity In Vitro and In Vivo

Viruses. 2021 Sep 16;13(9):1852. doi: 10.3390/v13091852.

Abstract

Human noroviruses (HuNoVs) are the most common cause of viral gastroenteritis resulting annually in ~219,000 deaths and a societal cost of ~USD 60 billion, and no antivirals or vaccines are available. Here, we assess the anti-norovirus activity of new peptidomimetic aldehydes related to the protease inhibitor rupintrivir. The early hit compound 4 inhibited the replication of murine norovirus (MNV) and the HuNoV GI.1 replicon in vitro (EC50 ~1 µM) and swiftly cleared the HuNoV GI.1 replicon from the cells. Compound 4 still inhibits the proteolytic activity. We selected a resistant GI.1 replicon, with a mutation (I109V) in a highly conserved region of the viral protease, conferring a low yield of resistance against compound 4 and rupintrivir. After testing new derivatives, compound 10d was the most potent (EC50 nanomolar range). Molecular docking indicated that the aldehyde group of compounds 4 and 10d bind with Cys139 in the HuNoV 3CL protease by a covalent linkage. Finally, compound 10d inhibited the replication of HuNoV GII.4 in infected zebrafish larvae, and PK studies in mice showed an adequate profile.

Keywords: Caliciviridae; antivirals; danio rerio; infection; small molecule.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Caliciviridae Infections / drug therapy*
  • Caliciviridae Infections / virology
  • Cell Line
  • Cytopathogenic Effect, Viral / drug effects
  • Drug Resistance, Viral
  • Isoxazoles / pharmacology
  • Microbial Sensitivity Tests
  • Molecular Docking Simulation
  • Mutation
  • Norovirus / drug effects*
  • Norovirus / enzymology
  • Norovirus / genetics
  • Norovirus / physiology
  • Peptide Hydrolases / genetics
  • Peptide Hydrolases / metabolism
  • Phenylalanine / analogs & derivatives
  • Phenylalanine / pharmacology
  • Pyrrolidinones / pharmacology
  • RNA, Viral / metabolism
  • Replicon
  • Small Molecule Libraries
  • Valine / analogs & derivatives
  • Valine / pharmacology
  • Viral Protease Inhibitors / chemistry
  • Viral Protease Inhibitors / pharmacokinetics
  • Viral Protease Inhibitors / pharmacology*
  • Virus Replication / drug effects
  • Zebrafish / virology

Substances

  • Isoxazoles
  • Pyrrolidinones
  • RNA, Viral
  • Small Molecule Libraries
  • Viral Protease Inhibitors
  • Phenylalanine
  • Peptide Hydrolases
  • Valine
  • rupintrivir