Dong_2025_Phytochemistry_235_114472

Salcastaniols A-G (1-7), seven undescribed diterpenoids, together with 29 known ones, were isolated from Salvia castanea Diels f. tomentosa Stib. Their structures, including absolute configurations, were elucidated by NMR spectroscopy analysis, ECD experiments and quantum chemical calculation. The in vitro cholinesterase inhibitory activities of all isolates were evaluated using modified Ellman's method. Ten compounds exhibited AChE inhibitory activities with IC(50) values ranging from 0.15 +/- 0.01-5.36 +/- 0.25 microM. Among them, compound 1 significantly inhibited in vitro AChE. Furthermore, 1 had the highest affinity (-7.15 kcal/mol) in comparison to the positive control (galantamine, -6.00 kcal/mol) with activity site of AChE in molecular docking experiment. These studies supported the possibilities for the development of new anti-Alzheimer's drugs.