A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by Cytochrome P450 enzymes
- Author
- DE VISSER, Sam P1 ; SHAIK, Sason1
[1] Department of Organic Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem, 91904 Jerusalem, Israel - Source
Journal of the American Chemical Society. 2003, Vol 125, Num 24, pp 7413-7424, 12 p
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Benzène Catalyse enzymatique Cytochrome P450 Etat transition Etude théorique Hydrocarbure Hydroxylation Méthode fonctionnelle densité Porphyrine métallique Réaction catalytique Schéma réactionnel Structure moléculaire Structure électronique Surface énergie potentielle
- Keyword (en)
- Benzene Enzymatic catalysis Cytochrome P450 Transition state Theoretical study Hydrocarbon Hydroxylation Density functional method Metalloporphyrin Catalytic reaction Reaction path Molecular structure Electronic structure Potential energy surfaces
- Keyword (es)
- Benceno Catálisis enzimática Citocromo P450 Estado transitorio Estudio teórico Hidrocarburo Hidroxilación Porfirina metálica Reacción catalítica Esquema reacciones Estructura molecular Estructura electrónica
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03B Reactivity and mechanisms / 001C03B02 Kinetics and mechanisms
- Pascal
- 002 Biological and medical sciences / 002A Fundamental and applied biological sciences. Psychology / 002A03 Molecular biophysics / 002A03E Physical chemistry in biology / 002A03E01 Mechanisms. Catalysis. Electron transfer. Models
- Discipline
- Molecular biophysics Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 14876972
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ja034142f 
https://dx.doi.org/10.1021/ja034142f
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