title: How an enzyme might accelerate an intramolecular Diels-Alder reaction: theozymes for the formation of salvileucalin B.
abstract: Quantum chemical calculations reveal how functional group arrays present in known enzyme active sites could accelerate an intramolecular Diels-Alder reaction proposed to occur during the biosynthesis of a complex terpenoid natural product.
authors.affiliation: Department of Chemistry, University of California-Davis, 1 Shields Avenue, Davis, California 95616, USA. tantillo@chem.ucdavis.edu
authors.forename: Dean J
authors.initials: DJ
authors.lastname: Tantillo
mesh_terms: D055162:Biocatalysis; D001688:Biological Products / Q000096:biosynthesis / Q000737:chemistry; D020134:Catalytic Domain; D003198:Computer Simulation; D004224:Diterpenes / Q000737:chemistry* / Q000378:metabolism*; D004798:Enzymes / Q000378:metabolism*; D015394:Molecular Structure; D011789:Quantum Theory; D013237:Stereoisomerism
chemical_list: D001688:Biological Products; D004224:Diterpenes; D004798:Enzymes; C533291:salvileucalin B