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Predicted binding modes for representative triterpene acids using molecular docking. Predicted binding modes are shown for (A) 3α-acetoxy-7,24-dienetirucallic acid (10) (B), 3-α-hydroxy-8,24-dienetirucallic acid (5), (C) 3-O-acetyl-28-hydroxylupeolic acid (17), and (D) β-boswellic acid (1). Protein–ligand interactions are color-coded: red arrow, hydrogen-bond acceptor; green arrow, hydrogen-bond donor; yellow sphere, hydrophobic interaction; red star, negatively ionizable.
