Can ferric-superoxide act as a potential oxidant in P450 cam? QM/MM investigation of hydroxylation, epoxidation, and sulfoxidation

Journal of the American Chemical Society

Volumn 133, Issue 14, 2011, Pages 5444-5452

  Lai, Wenzhen ^a   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

AXIAL LIGAND; DIOXYGENASES; EXTERNAL ELECTRIC FIELD; HEME ENZYME; HIGH REACTIVITY; NONHEME; OXOIRON; PORPHYRIN CATIONS; REACTION BARRIERS; SULFOXIDATION; SUPEROXIDES; THIOLATE LIGANDS; TRANSITION STATE;

AMERICIUM; AMINO ACIDS; CAMS; CATALYSTS; CHARGE TRANSFER; ELECTRIC FIELDS; ENZYMES; HYDROXYLATION; IODINE; ION EXCHANGE; LIGANDS; MOLECULAR MODELING; OXIDANTS; PORPHYRINS;

OXYGEN;

CATION; CYTOCHROME P450; ENZYME; FERRIC SUPEROXIDE; HEME; HISTIDINE; PORPHYRIN; TRYPTOPHAN 2,3 DIOXYGENASE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; ELECTRIC FIELD; EPOXIDATION; HYDROXYLATION; MOLECULAR MECHANICS; OXIDATION; QUANTUM MECHANICS; SULFOXIDATION;

CAMPHOR 5-MONOOXYGENASE; CYCLOHEXENES; EPOXY COMPOUNDS; HYDROXYLATION; IRON; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXIDANTS; QUANTUM THEORY; SAFROLE; SULFIDES; SUPEROXIDES;

EID: 79953697406     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja111376n     Document Type: Article

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