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Publication Type
Journal Article
UWI Author(s)
Author, Analytic
Martin, GD.A; Durrant, M.C.; Reese, Paul B
Author Affiliation, Ana.
n/a
Article Title
Apredictive cyochrome P450 monooxygenase functional model foe generic hydroxylation by RhizopusoryzaeATCC 11145
Medium Designator
n/a
Connective Phrase
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Journal Title
Journal of Theoretical & Computational Chemistry
Translated Title
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Reprint Status
Refereed
Date of Publication
2008
Volume ID
7
Issue ID
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Page(s)
421 - 433p.
Language
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Connective Phrase
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Location/URL
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ISSN
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Notes
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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 3 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.....
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