Quantitative structure–activity relationships study of photocytotoxicity of miscellaneous porphyrins with amino acid and uracil by gene expression programming

Photodynamic therapy (PDT) is a new medical treatment modality for cancer which employs the combination of light and a photosensitizing drug against cancerous tissue. Quantitative structure–activity relationship (QSAR) study of the photocytotoxicity of miscellaneous porphyrins with amino acid and uracil has been performed. A series of molecular descriptors have been calculated in QSAR for these photosensitizers, with selection of variables and construction of nonlinear QSAR models performed simultaneously by gene expression programming (GEP). These selected descriptors encode different aspects of the molecular structure, involving electronic, spatial, and thermodynamic effects. The main factors affecting the photocytotoxicity of the considered porphyrins have been identified.