Studio delle relazioni tra alimentazione e stati fisiopatologici mediante un approccio di biologia dei sistemi

Lifestyle and food choices have an important role in the onset and in the prevention of some diseases. The assumption of some food-related molecules can have different effects on human health; for example, the antioxidants can lower the risk of some diseases, while the mycotoxins, contaminants of cereals and milk, could be involved in the rise of Autism Spectrum Disorders in genetically predisposed patients. The aim of this project was to identify possible protein targets for both mycotoxins and antioxidants, and to understand the mechanisms of actions underlying their effects. Protein targets were searched through a reverse docking approach using idTarget web-server. Subsequently, molecular docking using AutoDock 4.2 between the ligands (mycotoxins and antioxidants) and each of the selected protein targets was performed, in order to identify their binding sites. The interactions between mycotoxins and possible protein targets with good predicted energies were selected in order to validate them experimentally by means of techniques such as fluorescence techniques and MST. The interactions between antioxidants and possible protein targets with good predicted energies were selected to perform functional analysis via bioinformatics tools. The fluorescence techniques confirm that some mycotoxins bind the Acetylcholinesterase and Neuroligin-4, X linked, which is involved in Autism disease. The functional analysis results about the protein targets of the antioxidants suggests that chemopreventive effects of antioxidants in human pathologies, in particular for colon cancer, may be related to the possible interference of these molecules with the activity of nucleotide metabolism and methylation enzymes, similarly to some classes of anticancer drugs.[edited by Autor]