Koymans, L.M.H. (author), Menge, W.M.P.B. (author), Donné-Op Den Kelder, G.M. (author), te Koppele, J.M. (author), Vermeulen, N.P.E. (author), van Lenthe, J.H. (author), Instituut voor verouderings- en vaatziekten onderzoek TNO (author) The oxidative metabolism of 4-chloroacetanilide (4-ClAA, 1) by cytochrome P450 has been studied theoretically using ab-initio energy and spin-distribution calculations. A mechanism of oxidation for 4-ClAA is proposed which is in accordance with recent views on the mechanism of metabolic oxidation of substrates by cytochrome P450. An initial one...
article 1993
