Glaulactams A-C, daphniphyllum alkaloids from Daphniphyllum glaucescens.
Chih-Hua ChaoJu-Chien ChengThéo P GonçalvesKuo-Wei HuangChi-Chien LinHui-Chi HuangSyh-Yuan HwangYang-Chang WuPublished in: Scientific reports (2018)
Glaulactams A-C (1-3), which possess a novel skeleton, as well as the known compound daphmanidin B (4), were isolated from the leaves of Daphniphyllum glaucescens and separated using ion-exchange chromatography aided by NMR fingerprinting. Their structures, including their absolute configurations, were elucidated by spectroscopic analyses and time-dependent density-functional-theory-calculated electronic circular dichroism spectra; the data were subsequently analyzed to gain insight into the respective biogenetic relationships between the isolates, which exhibited anti-H1N1 and immunosuppressive activities.
Keyphrases
- density functional theory
- high resolution
- molecular dynamics
- mass spectrometry
- high speed
- molecular docking
- tandem mass spectrometry
- magnetic resonance
- electronic health record
- liquid chromatography
- big data
- high performance liquid chromatography
- solid state
- genetic diversity
- essential oil
- data analysis
- molecular dynamics simulations