Fig. 5.
Model of 13′-carboxychromanol binding to COX-1 as obtained by docking and MD simulations. Amino acids involved in hydrogen bonding (His-226, Tyr-355, and Arg-120) are represented by purple carbon atoms, and aromatic side chains (Phe-209 and Phe-381) accommodating the chroman moiety are represented by yellow carbon atoms.