Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450. (Q45103648)

9 December 2017

title

Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450. (English)

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9 December 2017

4

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Adrian J Mulholland

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Christine M Bathelt

series ordinal

1

object named as

Christine M Bathelt

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9 December 2017

2

Lars Ridder

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9 December 2017

publication date

28 September 2004

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Organic and Biomolecular Chemistry

9 December 2017

published in

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volume

2

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issue

20

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page(s)

2998-3005

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Common and uncommon cytochrome P450 reactions related to metabolism and chemical toxicity

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cites work

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Evaluation of norcarane as a probe for radicals in cytochome p450- and soluble methane monooxygenase-catalyzed hydroxylation reactions

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Kinetic isotope effects implicate two electrophilic oxidants in cytochrome p450-catalyzed hydroxylations

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Multiple mechanisms and multiple oxidants in P450-catalyzed hydroxylations

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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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A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450.

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Monooxygenation mechanism by cytochrome p-450.

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

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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 (

21 January 2018

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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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How Does Product Isotope Effect Prove the Operation of a Two-State “Rebound” Mechanism in C−H Hydroxylation by Cytochrome P450?

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

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Radical clock substrates, their C-H hydroxylation mechanism by cytochrome P450, and other reactivity patterns: what does theory reveal about the clocks' behavior?

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Arene oxides: a new aspect of drug metabolism

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Hydroxylation-induced migration: the NIH shift. Recent experiments reveal an unexpected and general result of enzymatic hydroxylation of aromatic compounds

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A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymes.

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Computer-modeling-based QSARs for analyzing experimental data on biotransformation and toxicity

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Mechanisms of metalloenzymes studied by quantum chemical methods

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Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects.

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Benzene metabolism by human liver microsomes in relation to cytochrome P450 2E1 activity.

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Modeling biotransformation reactions by combined quantum mechanical/molecular mechanical approaches: from structure to activity

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Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanism

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A survey of Hammett substituent constants and resonance and field parameters

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Comparative QSAR: Radical Reactions of Benzene Derivatives in Chemistry and Biology.

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Mechanisms of hydroxylation by cytochrome P-450: metabolism of monohalobenzenes by phenobarbital-induced microsomes

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Identifiers

DOI

10.1039/B410729B

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9 December 2017

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