Published in
Royal Society of Chemistry, Dalton Transactions, 39(43), p. 14833-14840, 2014
DOI: 10.1039/c4dt02065k
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Theoretical Insights into the Reductive Metabolism of CCl4 by Cytochrome P450 Enzymes and the CCl4-dependent Suicidal Inactivation of P450
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Abstract
The one-electron reduction product, ˙CCl3, irreversibly inactivates P450 via covalently binding to the meso-carbon, whereas the two successive one-electron reductions product, :CCl2, reversibly inhibits P450 by coordinating to iron.