Inhibition of neuraminidase by Ganoderma triterpenoids and implications for neuraminidase inhibitor design

Sci Rep. 2015 Aug 26;5:13194. doi: 10.1038/srep13194.

Abstract

Neuraminidase (NA) inhibitors are the dominant antiviral drugs for treating influenza in the clinic. Increasing prevalence of drug resistance makes the discovery of new NA inhibitors a high priority. Thirty-one triterpenoids from the medicinal mushroom Ganoderma lingzhi were analyzed in an in vitro NA inhibition assay, leading to the discovery of ganoderic acid T-Q and TR as two inhibitors of H5N1 and H1N1 NAs. Structure-activity relationship studies revealed that the corresponding triterpenoid structure is a potential scaffold for the design of NA inhibitors. Using these triterpenoids as probes we found, through further in silico docking and interaction analysis, that interactions with the amino-acid residues Arg292 and/or Glu119 of NA are critical for the inhibition of H5N1 and H1N1. These findings should prove valuable for the design and development of NA inhibitors.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Drug Design*
  • Enzyme Activation
  • Ganoderma / metabolism*
  • Models, Chemical
  • Molecular Docking Simulation*
  • Neuraminidase / antagonists & inhibitors*
  • Neuraminidase / chemistry*
  • Protein Binding
  • Protein Conformation
  • Structure-Activity Relationship
  • Triterpenes / administration & dosage
  • Triterpenes / chemistry

Substances

  • Triterpenes
  • Neuraminidase