Anti-obesity effects of secondary metabolites from Chrysosplenium flagelliferum: in vitro and in silico studies

Abstract

From the extract of Chrysosplenium flagelliferum, a Korean forest medicinal plant, a new triterpene glycoside (1), four triterpenoids (2–5), four flavonoids (6–9), a monoterpene lactone (10), a phenolic compound (11) and an alkaloid (12) were isolated. All isolates were evaluated for their anti-obesity effects, where cucurbitacin D (2) and cirsimaritin (6) exhibited significant inhibitory activities against lipid accumulation in differentiating 3T3-L1 adipocytes and downregulated the expression of PPAR-γ. Based on this, both compounds were subjected to molecular docking and dynamics simulation with PPAR-γ. Compound 2 showed dynamic binding behavior driven by conformational flexibility, while compound 6 maintained a stable and compact binding pose, suggesting they engage PPAR-γ through distinct binding modes and differential molecular mechanisms. In conclusion, this study suggests that C. flagelliferum is a promising source of anti-obesity agents and provides insight into molecular mechanisms of its bioactive compounds, highlighting their potential as therapeutic candidates for metabolic disorders.