Molecular modelling of inhibitors of 17α-Hydroxylase — a novel approach

A novel molecular modelling study, involving inhibitors bound to a ‘substrate-heme complex’, is described for the binding of non-steroidal imidazole based inhibitors of the 17α-Hydroxylase (17α-OHase) component of the enzyme complex 17α-Hydroxylase/17,20-Lyase to gain insight into the active site of the overall enzyme.