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New protein tyrosine phosphatase inhibitors from fungus Aspergillus gorakhpurensis F07ZB1707.

Yannan JiQiqi ZhouGuosheng LiuTianhui ZhuYufang WangYan FuYeying LiRuolan LiXuexia ZhangMei DongFrançoise SauriolYu-Cheng GuQingwen ShiXinhua LuZhi-Yu Ni
Published in: RSC advances (2021)
Twelve new compounds, aspergorakhins A-L (1-12) coupled with one known xanthone leptosphaerin D (13), were isolated from the extract of soil-derived fungus Aspergillus gorakhpurensis F07ZB1707. Their structures were elucidated by spectroscopic data analysis including UV, IR, NMR, and HRESIMS. The absolute configurations of 5 and 8-11 were identified using ECD and OR calculations. All compounds were tested by enzyme inhibitory activity assay in vitro . Aspergorakhin A (1) showed selective activities against PTP1B and SHP1 over TCPTP with IC 50 values 0.57, 1.19, and 22.97 μM, respectively. Compounds 1 and 2 exhibited modest cytotoxicity against tumor cell lines A549, HeLa, Bel-7402, and SMMC-7721 with IC 50 values in the range of 6.75-83.4 μM.
Keyphrases
  • data analysis
  • high resolution
  • magnetic resonance
  • oxidative stress
  • molecular docking
  • high throughput
  • molecular dynamics
  • density functional theory
  • molecular dynamics simulations
  • single cell