In Table 2 are shown the thermodynamic results of the photosensitizing ability of AMP in lipid media. All reactions considered in the electronic transfer involved in the photosensitizing ability of AMP in the presence of oxygen molecules were modeled.
The results showed that Rxn6, Rxn7, Rxn9, Rxn13, Rxn14, Rxn16, Rxn17, Rxn19 and Rxn20 reactions were exergonic with the following Gibbs free energies -20.03, -57.94, -22.30, -57.64, -22.00, -22.57, -60.48, -35.94 and -2.24 kcal/mol, respectively. The results obtained showed that both reaction mechanisms are present in the reaction routes considered. It was observed that reaction Rxn20 yields the 1AMP and O2•− molecules, following AMP•− + 3O2reagents, and this reaction mechanism supports mechanism type I, while reactions Rxn6 and Rxn16 where 1O2occurred, following reagents 1AMP + O2•− and AMP•+ + O2•−, respectively are involved in the type II mechanism.
According to thermodynamic results, AMP can produce ROS by both mechanisms types I and II, in lipid media. Therefore, in the kinetic study, the exergonic routes of the reaction were analyzed. For this reason, the kinetic study involved Rxn6, Rxn7, Rxn9, Rxn13, Rxn14, Rxn16, Rxn17, Rxn19, and Rxn20 reactions.
The study of the pro-oxidant capability of AMP was carried out through kinetic analysis. These were carried out in the exergonic reactions obtained in the thermodynamic results.
Table 2 . Gibbs free energy of reaction (ΔG, kcal/mol) in the reactions considering the photosensitizing activity of AMP in lipid media, at 298 K.