Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling. [electronic resource]
Producer: 20070718Description: 851-60 p. digitalISSN:- 0948-5023
- Alcohols -- chemical synthesis
- Algorithms
- Binding Sites
- Cinnamates -- chemistry
- Computer Simulation
- Cytochrome P-450 CYP3A
- Cytochrome P-450 Enzyme System -- chemistry
- Hydrogen -- chemistry
- Hydrogen Bonding
- Hydrophobic and Hydrophilic Interactions
- Ketones -- chemical synthesis
- Metabolic Networks and Pathways
- Models, Chemical
- Molecular Conformation
- Molecular Structure
- Morpholines -- chemistry
- Nitrogen -- chemistry
- Oxidation-Reduction
- Oxygen -- chemistry
- Protons
- Quantum Theory
- Reproducibility of Results
- Static Electricity
- Substrate Specificity
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Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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