Xylarichalasin A, a Halogenated Hexacyclic Cytochalasan from the Fungus Xylaria cf. curta.
Wen-Xuan WangXin-Xiang LeiYan-Ling YangZheng-Hui LiHong-Lian AiJing LiTao FengJi-Kai LiuPublished in: Organic letters (2019)
A cytochalasan, xylarichalasin A, was obtained from the endophytic fungus Xylaria cf. curta harbored in Solanum tuberosum. Its structure was elucidated by comprehensive spectroscopic methods including HRESIMS, 1D/2D NMR, and residual dipolar coupling analysis as well as quantum chemistry calculations including DFT GIAO 13C NMR and ECD calculation. It has an unprecedented 6/7/5/6/6/6 fused polycyclic structure. In bioassay, xylarichalasin A showed cytotoxicity against human cancer cell lines with IC50 value ranging from 6.3-17.3 μM.
Keyphrases
- cystic fibrosis
- density functional theory
- magnetic resonance
- molecular dynamics
- molecular docking
- high resolution
- monte carlo
- solid state
- endothelial cells
- papillary thyroid
- molecular dynamics simulations
- squamous cell
- induced pluripotent stem cells
- pluripotent stem cells
- room temperature
- squamous cell carcinoma
- young adults
- energy transfer
- data analysis