AUTHOR=Song Nali , Zheng Xi , Wang Jiapeng , Zhu Li , Wang Chengyao , Cai Le , Ding Zhongtao 

TITLE=Cytotoxicity and molecular-docking approach of a new rosane-type diterpenoid from the roots of Euphorbia nematocypha

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 10 - 2022

YEAR=2022

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2022.912738

DOI=10.3389/fchem.2022.912738

ISSN=2296-2646

ABSTRACT=A new rosane-type diterpenoid (1) along with nine known diterpenoids (2–10) were isolated from the dried roots of Euphorbia nematocypha. The absolute configuration was elucidated from spectroscopic (nuclear magnetic resonance, high-resolution electrospray ionization mass spectrometry, and electronic circular dichroism) and optical-rotation analyses. Cytotoxicity and the ability to scavenge 2,2-diphenyl-1-picrylhydrazyl radicals were determined. Compound 1 showed remarkable cytotoxicity against human cancer cell lines (HeLa, CT26, and HCC1806) in vitro. The interaction between compound 1 and proteins of ribosomal S6 kinase were revealed using molecular docking, and provided valuable insights into the cytotoxic mechanism of action of Compound 1. The latter could be developed as a pharmaceutical agent in the future.