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the use of the novel substrate heme complex approach in the derivation of a representation of the active site of the enzyme complex 17α hydroxylase and 17 20 lyase
Biochemical and Biophysical Research Communications, 2004Co-Authors: Sabbir AhmedAbstract:Abstract A novel Molecular Modelling Technique, namely the substrate–heme complex (SHC) approach, is used to derive a representation of the overall active site of the enzyme complex 17α-hydroxylase (17α-OHase) and 17,20-lyase (lyase), a cytochrome P-450 dependent enzyme involved in the oxidative hydroxylation of the C(17) and cleavage of the C(17)–C(20) bond of the progestins (e.g., progesterone or pregnenolone). Using the derived model, we have rationalised the inhibitory activity of a number of steroidal and non-steroidal inhibitors, including miconazole and ketoconazole (the latter being a former potential treatment of hormone-dependent prostate cancer).