PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 26218892-7 2015 Strikingly, 3-N demethylation is more favorable than 7-N demethylation due to its lower free energy barrier and 7-methylxanthine therefore is the optimum product reported for the demethylation of theobromine catalyzed by CYP1A2, which are in good agreement with the experimental observation. Theobromine 196-207 cytochrome P450 family 1 subfamily A member 2 Homo sapiens 221-227 26218892-2 2015 The main N-demethylation metabolic mechanism of theobromine catalyzed by P450 isoenzyme 1A2 (CYP1A2) has been explored in this work using the unrestricted hybrid density functional method UB3LYP in conjunction with the LACVP(Fe)/6-31G (H, C, N, O, S, Cl) basis set. Theobromine 48-59 cytochrome P450 family 1 subfamily A member 2 Homo sapiens 93-99 10215755-7 1999 Consistent with the microsomal studies, recombinant CYP1A2 and CYP2E1 exhibited similar apparent Km values for 7-MX formation and CYP2E1 was further shown to have the capacity to convert TB to both 3-MX and 3,7-DMU. Theobromine 187-189 cytochrome P450 family 1 subfamily A member 2 Homo sapiens 52-58 1302044-0 1992 Biotransformation of caffeine, paraxanthine, theobromine and theophylline by cDNA-expressed human CYP1A2 and CYP2E1. Theobromine 45-56 cytochrome P450 family 1 subfamily A member 2 Homo sapiens 98-104 1302044-3 1992 The metabolic profile of caffeine biotransformation by CYP1A2 averaged 81.5% for paraxanthine, 10.8% for theobromine and 5.4% for theophylline formation. Theobromine 105-116 cytochrome P450 family 1 subfamily A member 2 Homo sapiens 55-61 9868741-7 1998 The formation of 1,7-dimethylxanthine was virtually abolished by 10 microM of fluvoxamine, indicating that the N3-demethylation of caffeine is almost exclusively catalysed by CYP1A2. Theobromine 19-37 cytochrome P450 family 1 subfamily A member 2 Homo sapiens 175-181