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Neocucurbols A-H, Phomactin Diterpene Derivatives from the Marine-Derived Fungus Neocucurbitaria unguis-hominis FS685.

Jinhua HuZhenxing ZouYuchan ChenSaini LiXiaoxia GaoZhaoming LiuYanlin WangHongxin LiuWei-Min Zhang
Published in: Journal of natural products (2022)
Neocucurbols A-D ( 1 - 4 ) are diterpene derivatives that possess a complex 6/6/5/5/6 polycyclic ring system with a characteristic tetrahedrofuran bridge ring skeleton. Neocucurbols E-H ( 5 - 8 ) are diterpenes that feature a 6/8/6 tricyclic ring system. Their structures were unambiguously determined by detailed spectroscopic analyses, X-ray diffractions studies, and ECD calculations. All compounds ( 1 - 8 ) were evaluated for in vitro antimicrobial and cytotoxic activities.
Keyphrases
  • high resolution
  • staphylococcus aureus
  • machine learning
  • molecular dynamics
  • density functional theory
  • molecular dynamics simulations
  • deep learning
  • structure activity relationship
  • mass spectrometry