TY  - GEN
AU  - Shaikh,Abdul Rajjak
AU  - Broclawik,Ewa
AU  - Tsuboi,Hideyuki
AU  - Koyama,Michihisa
AU  - Endou,Akira
AU  - Takaba,Hiromitsu
AU  - Kubo,Momoji
AU  - Del Carpio,Carlos A
AU  - Miyamoto,Akira
TI  - 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
SN  - 0948-5023
PY  - 2007///0718
KW  - Alcohols
KW  - chemical synthesis
KW  - Algorithms
KW  - Binding Sites
KW  - Cinnamates
KW  - chemistry
KW  - Computer Simulation
KW  - Cytochrome P-450 CYP3A
KW  - Cytochrome P-450 Enzyme System
KW  - Hydrogen
KW  - Hydrogen Bonding
KW  - Hydrophobic and Hydrophilic Interactions
KW  - Ketones
KW  - Metabolic Networks and Pathways
KW  - Models, Chemical
KW  - Molecular Conformation
KW  - Molecular Structure
KW  - Morpholines
KW  - Nitrogen
KW  - Oxidation-Reduction
KW  - Oxygen
KW  - Protons
KW  - Quantum Theory
KW  - Reproducibility of Results
KW  - Static Electricity
KW  - Substrate Specificity
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1007/s00894-007-0196-5
ER  -