The Search for the Mechanism of the Reaction Catalyzed by Farnesyltransferase

Atomic-level portrait: The mechanism of the reaction catalyzed by the puzzling enzyme farnesyltransferase is elucidated by using computational methods, allowing the obtainment of the first real detailed atomistic quantum-chemical transition-state structure (see figure) for the reaction catalyzed by this enzyme. The results obtained provide an atomic-level framework for the design of more potent and specific inhibitors for this important enzyme.