Chapter 8 Computational Modelling of the Steps Involved in Photodynamic Therapy

Photodynamic therapy (PDT) is a branch of phototherapy that has seen a surge of interest in the last few decades, due to its potential in the treatment of various cancers, infections and

heart disease.(Bonnett, 2000) This chapter aims to give an overview of the various

photochemical steps involved in PDT as a cancer therapy, and in particular the challenges

and insight gained from their theoretical description. After a brief review of PDT in general,

in a biological and chemical context, the photochemical steps involved will be discussed,

detailing the computational techniques required to model these chemical pathways

theoretically. We will detail the methodologies that can currently be applied, as well as their

limitations of use at present, and areas requiring further development.