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Nepetaefolins A-J, Cytotoxic Chinane and Abietane Diterpenoids from Caryopteris nepetaefolia.

Cheng-Gang ZhangGui-Xin Chou WeiXu-Dong MaoQing-Shan YangJian-Li Zhou
Published in: Journal of natural products (2017)
Nepetaefolins A-J (1-10) and seven known compounds were isolated from the whole plant of Caryopteris nepetaefolia. The absolute configurations of 1-3 were determined from single-crystal X-ray diffraction and spectroscopic data. Compounds 6 and 7, with IC50 values of 6.3-9.0 μM, showed higher cytotoxicity than paclitaxel in one non-small-cell lung cancer, patient-derived xenograft (PDX) model when tested using PDX models and the adenosine triphosphate-tumor chemosensitivity assay (ATP-TCA).
Keyphrases
  • molecular docking
  • high resolution
  • high throughput
  • electron microscopy
  • electronic health record
  • big data
  • crystal structure
  • computed tomography
  • machine learning
  • single cell