RRC ID 37947
Author Zhu Q, Bang TH, Ohnuki K, Sawai T, Sawai K, Shimizu K.
Title Inhibition of neuraminidase by Ganoderma triterpenoids and implications for neuraminidase inhibitor design.
Journal Sci Rep
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.
Volume 5
Pages 13194
Published 2015-8-26
DOI 10.1038/srep13194
PII srep13194
PMID 26307417
PMC PMC4549708
MeSH 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
IF 3.998
Times Cited 23
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