The mechanism of aromatase — a molecular modelling perspective

The three possible mechanisms for the final step of aromatisation, as proposed by Wright and Akhtar1, are studied using a molecular modelling approach utilising the ferroxy ‘substrate-heme complex’ previously reported2 and a novel peroxy complex. The study concludes that only a ferroxy radical is involved in three steps of aromatase and not a mixture of ferroxy and peroxy as previously suggested. An alternative mechanism for the final step is also proposed.