<i>In vitro</i> and <i>in silico</i> anti-inflammatory investigation of triterpenoids from <i>combretum trifoliatum</i>

Phytochemical investigation of SE-CTL led to the isolation and structure elucidation of nine triterpenoids (<b>1–9</b>) using HRESIMS, NMR, and comparison with literature data.

Notably, triterpene acids (<b>1</b> and <b>5</b>) were identified for the first time from the <i>Combretum</i> genus. Most compounds showed significant anti-inflammatory activity (IC₅₀ = 25.55–36.87 <i>µ</i>M), and triterpene acids (<b>1–3</b>) displayed moderate cytotoxicity against HT-29 and MKN-7 cells (IC₅₀ = 69.94–98.06 <i>µ</i>M). <i>In silico</i> studies suggested that their anti-inflammatory effects may involve inhibition of TLR4 and iNOS, with compound <b>1</b> showing strong TLR4 binding (ΔG_MM-GBSA = −44.84 kcal/mol and stable RMSD during a 100-ns MD simulation).