Scheme 1

A proposed mechanism for the reactivation of the catalytic cycle of the COX peroxidase by phenol. PPIX is shown as an abbreviated parallelogram, and the imidazole ring of His388 as Im. Also, PGG2 is for prostaglandin G2, and PGH2 for prostaglandin H2. The proposed mechanisms for reaction 1 and 2 are depicted beneath the main scheme. In these two reactions, two protons attack the oxygen atom of Fe=O, resulting in the formation of H2O molecule. Detailed molecular orbital analysis of reaction 1 is shown in Scheme 2.