Design and Synthesis of Fatty Acid Synthase Inhibitors for Cancer Treatment

Fatty acid synthase (FASN) is a key enzyme responsible for de novo fatty acid synthesis and is frequently overexpressed in many cancers, where increased lipid production supports membrane biosynthesis, energy generation, and signaling pathways that promote tumor growth and survival. Because cancer cells rely heavily on endogenous fatty acid synthesis, FASN has emerged as a potential target for anticancer drug development. The goal of this project is to identify and develop small-molecule inhibitors of FASN through computational screening and chemical synthesis. Crystal structures of FASN obtained from the Protein Data Bank were prepared using AutoDockTools, and molecular docking was performed with AutoDock Vina to screen compounds from the ZINC database for potential binding to the enzyme's active site. Top candidates were analyzed for predicted binding interactions and used to guide the design and synthesis of potential inhibitors. Two synthetic schemes were designed for two target compounds, and their synthesis is in progress. Synthesized compounds will then be evaluated for biological activity using MTT cell proliferation assays to determine their ability to suppress the growth of cancer cells with FASN expression.