Journal
PHYTOCHEMISTRY
Volume 198, Issue -, Pages -Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.phytochem.2022.113144
Keywords
Daphne genkwa; Thymelaeaceae; Daphnane-type diterpenoids; Molecular networking; Cytotoxic activity
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Funding
- National Natural Science Foundation of China [82073736, 81872766]
- Key R&D Projects in Liaoning Province [2020JH2/10300058]
- Liaoning revitalization talents program [XLYC2002066, XLYC2007180]
- Program for Major Scientific and Medical Technology Problems of China Medicine Education Asso-ciation [2020KTS003]
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A molecular networking-guided study successfully isolated twelve daphnane-type diterpenoids, including four undescribed compounds, from Daphne genkwa Sieb. et Zucc. The structures of these compounds were determined through spectroscopic analyses, ECD calculations, and single-crystal X-ray diffraction analysis. The isolates demonstrated inhibitory activity against A549 cells, with IC50 values ranging from 7.77 to 20.56 μM, and a preliminary discussion on their structure-activity relationship was conducted. Further experiments revealed that five of these compounds appeared to inhibit A549 cell lines by inducing apoptosis.
A molecular networking-guided study on the Daphne genkwa Sieb. et Zucc led to the isolation of twelve daphnane-type diterpenoids including four undescribed compounds, yuanhuakines A-D. Their structures were elucidated by spectroscopic analyses, ECD calculations, and single-crystal X-ray diffraction analysis. All isolates were evaluated for their inhibitory activity against the A549, Hep3B, and MCF-7 cell lines. The majority of compounds inhibited A549 cells with IC50 values ranging from 7.77 to 20.56 mu M, and their structure-activity relationship is preliminarily discussed. Five of these compounds were selected for further experiments, and they appear to inhibit A549 cell lines by inducing apoptosis.
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