Exploring the mechanism of PFTrDA on human hepatic metabolic diseases based on network toxicology and molecular docking

One of the most common and extensively disseminated endocrine disrupting chemicals (EDCs) is perfluorotridecanoic acid (PFTrDA), which is used extensively in food packaging and has been linked to the development of metabolic disorders. Human health and food safety are intimately intertwined. Thus, as exemplary hepatic metabolic diseases, we selected liver cancer and nonalcoholic fatty liver disease (NAFLD). By employing advanced network toxicology and molecular docking techniques, we have discovered potential molecular pathways underlying these two diseases. We pinpointed the potential targets associated with the disease by leveraging databases including PubChem, ADEMTlab3.0, Swiss Target Prediction, OMIM, and GeneCards. To identify the primary targets that were most closely connected to these metabolic disorders, we also used Cytoscape software and STRING analysis. Furthermore, the David database's Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways were used to perform enrichment analysis of these key targets. Lastly, we used AutoDock Vina molecular docking to confirm PFTrDA's binding affinity to these target proteins. Our results imply that PFTrDA may regulate fatty acid metabolism and impact signal transduction pathways, which may lead to the onset of metabolic disorders. It's interesting that we also discovered links between liver cancer and NAFLD. In summary, this study offers a theoretical foundation for comprehending the molecular mechanisms behind PFTrDA toxicity and lays forth a basic theoretical framework for the creation of therapeutic and preventative approaches for hepatic metabolic disorders linked to PFTrDA.