One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymes

Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
Sason ShaikDevesh Kumar

Abstract

Density functional theoretical studies of monooxygenation reactivity of the high-valent oxoiron(IV) porphyrin cation-radical compound of cytochrome P450, the so-called Compound I, and of its precursor, the ferric(III)-hydroperoxide species, are described. The degeneracy of the spin states of Compound I, its electron deficiency, and dense orbital manifold lead to two-state and multi-state reactivity scenarios and may thereby create reactivity patterns as though belonging to two or more different oxidants. Most of the controversies in the experimental data are reconciled using Compound I as the sole competent oxidant. Theory finds ferric(III)-hydroperoxide to be a very sluggish oxidant, noncompetitive with Compound I. If and when Compound I is absent, P450 oxidation will logically proceed by another form, but this has to be more reactive than ferric(III)-hydroperoxide. Theoretical studies are conducted to pinpoint such an oxidant for P450.

Citations

Apr 7, 2005·Current Opinion in Chemical Biology·Andrea Decker, Edward I Solomon
Feb 1, 2007·Journal of the American Chemical Society·Woon Ju SongWonwoo Nam
Dec 10, 2015·Inorganic Chemistry·Munmun GhoshSayam Sen Gupta
Jun 19, 2010·Biochimica Et Biophysica Acta·Christiane Jung
Sep 17, 2005·Biochemical and Biophysical Research Communications·Erik R FarquharLawrence Que
Jul 24, 2015·Accounts of Chemical Research·Wonwoo Nam
Mar 9, 2005·Archives of Biochemistry and Biophysics·Masanori SonoJohn H Dawson
Jun 21, 2014·Journal of the American Chemical Society·Hendrik VennekatePeter Vöhringer
Apr 16, 2015·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Yu ZhangShaul Mukamel
Sep 23, 2006·Angewandte Chemie·Nathan A EckertPatrick L Holland
Mar 2, 2005·Angewandte Chemie·Jan-Uwe Rohde, Lawrence Que
Jul 31, 2007·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Xiaojing LiuKeli Han
Apr 14, 2005·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Woon Ju SongWonwoo Nam
May 4, 2010·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Radu Silaghi-Dumitrescu, Sergei V Makarov
Apr 13, 2007·Angewandte Chemie·William D KerberDavid P Goldberg
Mar 19, 2015·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Xiao-Xi LiYong Wang
Dec 4, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Peter Vöhringer
Feb 27, 2007·Chemistry : a European Journal·Willi SickingReiner Sustmann
May 8, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Deepali GuptaWillem H Koppenol
Oct 16, 2013·Angewandte Chemie·Joel Torres-AlacanPeter Vöhringer
May 9, 2014·Physical Chemistry Chemical Physics : PCCP·Azaj Ansari, Gopalan Rajaraman
Jun 9, 2005·Chemical Reviews·Sason ShaikWalter Thiel
Oct 30, 2008·The Journal of Physical Chemistry. a·André R GroenhofKoop Lammertsma
Mar 7, 2006·Journal of Inorganic Biochemistry·John T Groves
Apr 20, 2007·Journal of the American Chemical Society·André R GroenhofKoop Lammertsma
Dec 15, 2006·Journal of the American Chemical Society·Devesh KumarPawel M Kozlowski

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