論文 - 詳細
RRC ID | 37947 |
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著者 | Zhu Q, Bang TH, Ohnuki K, Sawai T, Sawai K, Shimizu K. |
タイトル | Inhibition of neuraminidase by Ganoderma triterpenoids and implications for neuraminidase inhibitor design. |
ジャーナル | 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. |
巻・号 | 5 |
ページ | 13194 |
公開日 | 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 |
引用数 | 23 |
WOS 分野 | PHARMACOLOGY & PHARMACY |
リソース情報 | |
ヒト・動物細胞 | MCF7(RCB1904) |