Conclusion
The study of the pro-oxidant capability of amphotericin B was carried out through the use of an amphotericin B model AMP. The AMP photosensitizer study was performed employing the density functional theory. In this study, the electron transfer mechanism was based on the Marcus theory, which considers the lipid medium to mimic the environment of the cell membrane. Thermodynamic results show that AMP can be a pro-oxidant molecule through types I and II mechanisms. The kinetic results indicate that AMP is a pro-oxidant molecule mainly through the type II mechanism. The AMP showed a reaction rate constant for the types I and II mechanisms of 8.94 x 109 and 1.89 x 1010 M−1 s−1, respectively, while the overall reaction rate constant was 2.79 x 1010 M−1 s−1. Therefore, the results of this study support the pro-oxidant capability of amphotericin B in lipid media and considering that ergosterol is more susceptible to undergoing oxidative damage by ROS than cholesterol, this mechanism could contribute toward the antifungal activity of amphotericin B; as well as invite researchers to study in greater detail the biological effects of its storage and pharmaceutical administration in the absence or presence of light.