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=10

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=<p>A new rosane-type diterpenoid (<bold>1</bold>) along with nine known diterpenoids (<bold>2–10</bold>), were isolated from the dried roots of <italic>Euphorbia nematocypha</italic>. 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 <bold>1</bold> showed remarkable cytotoxicity against human cancer cell lines (HeLa, CT26, and HCC 1806) <italic>in vitro</italic>. The interaction between compound <bold>1</bold> and proteins of ribosomal S6 kinase was revealed using molecular docking and provided valuable insights into the cytotoxic mechanism of action of compound <bold>1</bold>. The latter could be developed as a pharmaceutical agent in the future. </p>