title: [Application of theoretical and synthetic models to cytochrome P450 catalysed metabolic reactions].
abstract: In addition to in vivo and in vitro methods, models of structural and theoretical biochemistry as well as bioorganic studies were found to be useful for understanding metabolic activity on a molecular basis. Metabolism of an AChE inhibitor, carbofuran was studied. Product selectivity observed in vitro and in vivo was explained by theoretical methods. Metabolic profiles can be reproduced using P450 mimic synthetic porphyrins. Insight into the mechanism of metabolic reactions might be applied for the identification of metabolically sensitive substructures as well as for the prediction of metabolic profiles.
authors.affiliation: CHINOIN Növényoédószer Uzletág, Kémiai Kutatólaboratórium I., Budapest.
authors.forename: G M
authors.initials: GM
authors.lastname: Keserú
mesh_terms: D000818:Animals; D002235:Carbofuran / Q000737:chemistry / Q000494:pharmacology*; D065607:Cytochrome P-450 Enzyme Inhibitors; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry* / Q000378:metabolism*; D051379:Mice; D008958:Models, Molecular; D008962:Models, Theoretical; D011166:Porphyrins / Q000737:chemistry / Q000378:metabolism*; D013379:Substrate Specificity
chemical_list: D065607:Cytochrome P-450 Enzyme Inhibitors; D011166:Porphyrins; D003577:Cytochrome P-450 Enzyme System; D002235:Carbofuran
vernacular_title: Elméleti és preparatív enzimmodellek alkalmazása citokrom P450 katalizált metabolitikus reakciók vizsgálatára.