Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory. (Q34987326)

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14 December 2019

review article

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title

Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory (English)

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14 December 2019

4

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14 December 2019

author name string

Sason Shaik

1

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14 December 2019

Samuël P de Visser

2

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14 December 2019

François Ogliaro

3

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14 December 2019

Detlef Schröder

5

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14 December 2019

publication date

1 October 2002

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Current Opinion in Chemical Biology

14 December 2019

published in

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14 December 2019

volume

6

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14 December 2019

issue

5

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14 December 2019

page(s)

556-567

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Heme-Containing Oxygenases

14 December 2019

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Probing Structure-Function Relations in Heme-Containing Oxygenases and Peroxidases

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Aliphatic hydroxylation by highly purified liver microsomal cytochrome P-450. Evidence for a carbon radical intermediate

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Hypersensitive radical probes and the mechanisms of cytochrome P450-catalyzed hydroxylation reactions

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Peroxo-iron and oxenoid-iron species as alternative oxygenating agents in cytochrome P450-catalyzed reactions: switching by threonine-302 to alanine mutagenesis of cytochrome P450 2B4.

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Epoxidation of olefins by cytochrome P450: evidence from site-specific mutagenesis for hydroperoxo-iron as an electrophilic oxidant

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How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional Study The research is supported in part by the ISF and in part by the Ministry of Science, Culture, and Sport. F.O. acknowledges the European Union for a Ma

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Multi-state epoxidation of ethene by cytochrome P450: a quantum chemical study

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Stereospecific oxidation by compound I of cytochrome P450 does not proceed in a concerted synchronous manner

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Kinetic Isotope Effects in a C−H Bond Dissociation by the Iron-Oxo Species of Cytochrome P450

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A theoretical study of the dynamic behavior of alkane hydroxylation by a compound I model of cytochrome P450.

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Chemistry of excited electronic States

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Two-state reactivity as a new concept in organometallic chemistry

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Two-State Reactivity in the Rebound Step of Alkane Hydroxylation by Cytochrome P-450: Origins of Free Radicals with Finite Lifetimes This research was sponsored by the Israeli Science Foundation (ISF) and, in part, by the German Israeli Foundation (

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7 January 2021

Role of the heme active site and protein environment in structure, spectra, and function of the cytochrome p450s

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7 January 2021

High-valent intermediates of heme proteins and model compounds

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The High-Valent Compound of Cytochrome P450: The Nature of the Fe-S Bond and the Role of the Thiolate Ligand as an Internal Electron Donor

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Stereochemistry and deuterium isotope effects in camphor hydroxylation by the cytochrome P450cam monoxygenase system

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What factors affect the regioselectivity of oxidation by cytochrome p450? A DFT study of allylic hydroxylation and double bond epoxidation in a model reaction

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On the "Rebound" Mechanism of Alkane Hydroxylation by Cytochrome P450: Electronic Structure of the Intermediate and the Electron Transfer Character in the Rebound Step

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7 January 2021

Cytochrome P450-catalyzed hydroxylation of hydrocarbons: kinetic deuterium isotope effects for the hydroxylation of an ultrafast radical clock.

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7 January 2021

On the Origin of the Low-Spin Character of Cytochrome P450cam in the Resting State-Investigations of Enzyme Models with Pulse EPR and ENDOR Spectroscopy

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7 January 2021

Searching for the second oxidant in the catalytic cycle of cytochrome P450: a theoretical investigation of the iron(III)-hydroperoxo species and its epoxidation pathways

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7 January 2021

Revisiting the mechanism of P450 enzymes with the radical clocks norcarane and spiro[2,5]octane

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Synthetic active site analogues of heme-thiolate proteins. Characterization and identification of intermediates of the catalytic cycles of cytochrome P450cam and chloroperoxidase

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Oxidizing species in the mechanism of cytochrome P450.

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The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations

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7 January 2021

Roles of the axial push effect in cytochrome P450cam studied with the site-directed mutagenesis at the heme proximal site

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7 January 2021

Evidence for two different active oxygen species in cytochrome P450 BM3 mediated sulfoxidation and N-dealkylation reactions

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Hydroxylation of camphor by reduced oxy-cytochrome P450cam: mechanistic implications of EPR and ENDOR studies of catalytic intermediates in native and mutant enzymes

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Experimental evidence for multiple oxidation pathways in the (salen) Mn-catalyzed epoxidation of alkenes

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Identifiers

DOI

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14 December 2019

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