Discovery of Neolignan Glycosides with Acetylcolinesterase Inhibitory Activity from Huangjinya Green Tea Guided by Ultra Performance Liquid Chromatography-Tandem Mass Spectrometry Data and Global Natural Product Social Molecular Networking.
Hao-Yue WuJia-Ping KeWei WangYa-Shuai KongPeng ZhangTie-Jun LingGuan-Hu BaoPublished in: Journal of agricultural and food chemistry (2019)
Global Natural Product Social feature-based networking was applied to follow the phytochemicals, including nine flavonoid glycosides, six catechins, and three flavonols in Huangjinya green tea. Further, a new 8-O-4'-type neolignan glycoside, camellignanoside A (1), and 15 known compounds (2-16) were isolated through a variety of column chromatographies, and the structure was elucidated extensively by ultra performance liquid chromatography-quadrupole-time-of-flight-tandem mass spectrometry, 1H and 13C nuclear magnetic resonance, heteronuclear single-quantum correlation, heteronuclear multiple-bond correlation, 1H-1H correlation spectroscopy, rotating frame nuclear Overhauser effect spectroscopy, and Nuclear Overhauser effect spectroscopy, and circular dichroism spectroscopies. Compounds 1 and 2 showed acetylcolinesterase inhibition activity, with IC50 = 0.75 and 0.18 μM, respectively.
Keyphrases
- liquid chromatography
- tandem mass spectrometry
- simultaneous determination
- high resolution
- liquid chromatography tandem mass spectrometry
- solid phase extraction
- ultra high performance liquid chromatography
- mass spectrometry
- high performance liquid chromatography
- high resolution mass spectrometry
- magnetic resonance
- gas chromatography
- single molecule
- healthcare
- mental health
- machine learning
- solid state
- multidrug resistant
- small molecule
- ms ms
- electronic health record
- molecular dynamics
- deep learning
- computed tomography
- big data
- high throughput