Cytochrome P450 enzymes play a central role in drug metabolism, and models of their
mechanism could contribute significantly to pharmaceutical research and development of …

High-valent iron-oxo species are thought to be intermediates in the catalytic cycles of
oxygenases and peroxidases. An attractive route to these iron-oxo intermediates involves …

We elucidate the hydroxylation of camphor by cytochrome P450 with the use of density
functional and mixed quantum mechanics/molecular mechanics methods. Our results reveal …

The structure, energies and spectroscopic properties of a simple [FeO (NH3) 5] 2+ model
with ground states 3A2g and 5A1g (in approximate C4v symmetry) have been studied in …

Ablation of androgen production through surgery is one strategy against prostate cancer,
with the current focus placed on pharmaceutical intervention to restrict androgen synthesis …

This article focuses on the versatile ways in which hydrogen peroxide can be activated by
metal ions and metal compounds, in terms of possible biomedical and environmental …

Unlike photosystem II (PSII) that catalyzes formation of the O–O bond, the cytochromes P450
(P450), members of a superfamily of hemoproteins, catalyze the scission of the O–O bond of …

A water-soluble manganese porphyrin, 5, 10, 15, 20-tetrakis-(1, 3-dimethylimidazolium-2-yl)
porphyrinatomanganese (III)(MnIIITDMImP) is shown to react with H2O2 to generate a …

Covering: up to 2006 but not exhaustively This focused review discusses mechanisms of
oxygenation of organic compounds by cytochrome P450, based on density functional theory …

Nitrogenase is the metalloenzyme that catalyzes the nucleotide-dependent reduction of N2,
as well as reduction of a variety of other triply bonded substrates, including the alkyne …