✦ LIBER ✦

A predictive active site model for cyclohexanone monooxygenase catalyzed Baeyer-Villiger oxidations

✍ Scribed by Gianluca Ottolina; Giacomo Carrea; Stefano Colonna; Andreas Rückemann

Book ID: 103977468
Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 579 KB
Volume: 7
Category: Article
ISSN: 0957-4166
DOI: 10.1016/0957-4166(96)00118-8

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✦ Synopsis

An extension to Baeyer-Villiger oxidations of the active site model previously developed (Tetrahedron: Asymmetry, 1995, 6, 1375) for the enantioselective sulfoxidation of organic sulfides catalyzed by cyclohexanone monooxygenase from Acinetobacter NCIMB 9871 is proposed. The model is based on cubic-space descriptors and can explain the stereoselectivity of the enzyme for about 40 different substrates.

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