@article{bd4db3beddf941c1b176b13fdad2f3b9,
title = "Ethylbenzene hydroxylation by cytochrome P450cam",
abstract = "The metabolism of ethylbenzene by cytochrome P450cam was analyzed by experimental and theoretical methods. The present experiments indicate that ethylbenzene is hydroxylated almost exclusively at the secondary ethyl carbon with about a 2:1 ratio of R:S product. Several molecular dynamics trajectories were performed with different starting conformations of ethylbenzene in the active site of P450cam. The stereochemistry of hydroxylation predicted from the molecular dynamics simulations was found to be in good agreement with the observed products.",
author = "D. Filipovic and Paulsen, \{M. D.\} and Loida, \{P. J.\} and Sligar, \{S. G.\} and Ornstein, \{R. L.\}",
note = "Cytochrome P450 are important enzymes in the synthesis of steroids, fatty acids, and prostaglandines, as well as the metabolism of xenobiotics. The superfamily of cytochromes P450 metabolizes a plethora of substrates ranging from ethylene to cyclosporine A, with an amazing variety of chemical reactions including hydroxylation of carbon and heteroatoms, dealkylation of amines and ethers, epoxidation of double bonds, and reductive dehalogenation (for a review see 1). Common to most of these reactions is CSupported by the Northwest College and University Association for Science in affiliation with Washington State University under Contract DE-AM06-76-RLO 2225 with the U. S. Department of Energy, Office of Energy Research. \%upported in part by the Biological Research and Development Corporation and NIH grant GM31756. eTo whom correspondence should be sent. *Pacific Northwest Laboratory is operated for the U. S. Department of Energy by Battelle Memorial Institute under Contract DE-AC06-76RLG 1830.",
year = "1992",
month = nov,
day = "30",
doi = "10.1016/0006-291X(92)91584-D",
language = "English (US)",
volume = "189",
pages = "488--495",
journal = "Biochemical and Biophysical Research Communications",
issn = "0006-291X",
publisher = "Elsevier B.V.",
number = "1",
}