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Molecular Networking-Driven Discovery of Antibacterial Perinadines, New Tetracyclic Alkaloids from the Marine Sponge-Derived Fungus Aspergillus sp.

Yang LiuLi-Jian DingYutong ShiXiaojun YanBin WuShan He
Published in: ACS omega (2022)
Two rare tetracyclic skeleton alkaloids named perinadines B and C ( 1 and 2 ) were isolated as mixtures of epimers from the marine-derived Aspergillus sp. LS116 driven by molecular networking. The planar structures of 1 and 2 were characterized by comprehensive spectroscopic data. Additionally, compounds 1 and 2 showed moderate in vitro antibacterial activity against Bacillus subtilis with minimum inhibitory concentration values of 32 and 64 μg/mL, respectively. Besides, both of the compounds were evaluated for anti-inflammatory activities in an in vivo zebra fish model.
Keyphrases
  • bacillus subtilis
  • anti inflammatory
  • silver nanoparticles
  • small molecule
  • single molecule
  • high resolution
  • high throughput
  • ionic liquid
  • big data
  • machine learning
  • mass spectrometry