Study of the Nutraceutical Properties of Tuscan Functional Foods such as Extra Virgin Olive Oil through a Multidisciplinary Approach Based on Big Data Analysis, Target Fishing and Artificial Intelligence Models

This dissertation investigates the nutraceutical potential of Tuscan functional foods, focusing on extra virgin olive oil (EVOO) bioactives, including the novel lignan 1-acetoxypinoresinol (1-AP), and fermented cereals. This work introduces in silico nutraceutical target fishing (Nutrafishing) as a novel approach in this field. The first chapter provides a general introduction and background for the subsequent studies. The second chapter presents the first comprehensive review of 1-AP, synthesizing existing knowledge on its distribution, preparative isolation, and biological activities. The third chapter pioneers the application of Nutrafishing to EVOO bioactives, predicting potential protein targets, particularly for oleocanthalic acid and 1-AP, using TargetPred and ChEMBL similarity searching. The fourth chapter addresses the challenge of obtaining pure 1-AP by developing an effective extraction, purification, and isolation protocol. The fifth chapter, conducted in collaboration with IBBA CNR Pisa, reviews fermented cereals as potential Tuscan functional foods, focusing on the impact of solid-state fermentation (SSF) on enhancing phenolic content and their potential hepatoprotective effects. Finally, the concluding chapter summarizes the key findings and outlines future research directions.