Figure 3.
(A) Putative interactions between chicoric acid and α-amylase (PDB: 1XV8). Free energy of binding (ΔG) and affinity (Ki) are −9.2 kcal/mol and 0.2 µM, respectively. (B) Putative interactions between chicoric acid and α-glucosidase (PDB: 3WY1). Free energy of binding (ΔG) and affinity (Ki) are −8.8 kcal/mol and 0.4 µM, respectively. (C) Putative interactions between chicoric acid and AChE (PDB: 1GQR). Free energy of binding (ΔG) and affinity (Ki) are −8.4 kcal/mol and 0.7 µM, respectively. (D) Putative interactions between chicoric acid and BChE (PDB: 1GQR). Free energy of binding (ΔG) and affinity (Ki) are −9.5 kcal/mol and 0.1 µM, respectively.