Highly modified steroids from Inonotus obliquus.
Chun-Xin ZouZi-Lin HouMing BaiRui GuoBin LinXiao-Bo WangXiao-Xiao HuangShao-Jiang SongPublished in: Organic & biomolecular chemistry (2021)
Six undescribed steroids were isolated from the fungus Inonotus obliquus. Notably, compounds 1 and 2 represented the first example of 8,14-seco-4-methylpregnane. By spectroscopic data analyses, quantum chemical calculations and DP4+ probability analysis, their structures were unambiguously determined. The absolute configurations of the compounds 1-6 were defined by comparison of their experimental and calculated electronic circular dichroism (ECD) spectra data. The structure of compound 1 was also confirmed by single-crystal X-ray diffraction. All isolated steroids were evaluated for their neuroprotective activities against H2O2-induced cell injury in human neuroblastoma SH-SY5Y cells, among which compound 2 showed moderate activity at 12.5 μM.
Keyphrases
- electronic health record
- molecular dynamics
- density functional theory
- endothelial cells
- induced apoptosis
- high resolution
- big data
- high glucose
- single cell
- molecular docking
- cell cycle arrest
- high intensity
- molecular dynamics simulations
- cell therapy
- electron microscopy
- drug induced
- data analysis
- stem cells
- pluripotent stem cells
- computed tomography
- cell proliferation
- deep learning
- clinical evaluation