A predictive cytochrome P450 monooxygenase functional model for generic hydroxylation by rhizopus oryzae ATCC 11145

Martin, Glenroy, Durrant, Marcus and Reese, Paul (2008) A predictive cytochrome P450 monooxygenase functional model for generic hydroxylation by rhizopus oryzae ATCC 11145. Journal of Theoretical and Computational Chemistry, 7 (3). pp. 421-433. ISSN 0219-6336

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Abstract

An active site model for generic hydroxylation of xenobiotes by the fungus Rhizopus oryzae ATCC 11145 has been developed. The model was constructed using data from known metabolites of R. oryzae, as reported in the chemical literature, including diterpenes and steroids. The model takes the form of an irregular polyhedron of 340 Å3 volume, with two hydrophilic patches and an active site region. It was validated using data for other known substrates, including terpenes, steroids, octalin, and hydrindenone derivatives, drawn from the literature. The interpretive and predictive abilities of the model are discussed.

Item Type:	Article
Subjects:	C700 Molecular Biology, Biophysics and Biochemistry F100 Chemistry
Department:	Faculties > Health and Life Sciences > Applied Sciences
Depositing User:	EPrint Services
Date Deposited:	26 Feb 2010 13:10
Last Modified:	12 Oct 2019 17:31
URI:	http://nrl.northumbria.ac.uk/id/eprint/1014

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