Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis
Author:
Affiliation:
1. Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci400058s
Reference91 articles.
1. Cytochrome P450s and other enzymes in drug metabolism and toxicity
2. 57 varieties: the human cytochromes P450
3. P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
4. A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns
5. Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory
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