Development of an Empirical Model for the Activation Energy of CYP Reaction

摘要

Human cytochrome P450 (CYP450)is the most abundant enzyme in the human liver and is responsible for the metabolism of nearly over 90% of the drugs on the market.Accordingly,it is necessary to determine regioselectivity which shows what site is metabolized preferentially for the purpose of reducing time and resources of drug discovery and development.However,the lack of quantitative experimental metabolic data and the fact that CYP system depends on both steric effect and electronic reactivity indicate that a determining regioselectivity is difficult.