Guaiane-type sesquiterpenoids with acetylcholinesterase inhibitory activities from the roots of Stellera chamaejasme.

Phytochemical investigation on the roots of Stellera chamaejasme Linn. Led to the isolation of twelve undescribed guaiane-type sesquiterpenoids (1-12). Their chemical structures were determined by a comprehensive analysis of spectroscopic data. The absolute configuration was elucidated by comparing experimental ECD. The acetylcholinesterase (AChE) inhibitory activities of isolated compounds were evaluated. Among these, compounds 3 and 9 exhibited comparable inhibitory activity, with IC50 values of 2.81 ± 0.37 μM and 3.22 ± 0.21 μM, even more than Donepezil. Additionally, the molecular modeling studies revealed the structural basis for the significant inhibitory activity of compounds 3 and 9.