Compound I reactivity defines alkene oxidation selectivity in cytochrome P450cam.

@article{Lonsdale2010CompoundIR,
  title={Compound I reactivity defines alkene oxidation selectivity in cytochrome P450cam.},
  author={Richard Lonsdale and Jeremy N. Harvey and Adrian J. Mulholland},
  journal={The journal of physical chemistry. B},
  year={2010},
  volume={114 2},
  pages={1156-62}
}
Prediction of the chemoselectivity of drug oxidation by the human cytochrome P450 enzymes will aid in the avoidance of adverse drug reactions. The chemoselectivity of alkene oxidation is an important problem to address, as it can result in the formation of epoxides, which can have toxic effects. In this paper the epoxidation and hydroxylation of cyclohexene and propene by the bacterial P450(cam) isoform are modeled with hybrid quantum mechanical/molecular mechanical (QM/MM) methods. Snapshots… CONTINUE READING

Citations

Publications citing this paper.
Showing 1-10 of 17 extracted citations

Similar Papers

Loading similar papers…