Guided isolation of daphnane-type diterpenes from Daphne genkwa by molecular network strategies
2022
Mi, Si-Hui | Zhao, Peng | Li, Qian | Zhang, Hao | Guo, Rui | Liu, Yu-Yang | Lin, Bin | Yao, Guo-Dong | Song, Shao-Jiang | Huang, Xiao-Xiao
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 μM, 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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