Molecular Similarity and Xenobiotic Metabolism, 2010. ,
Biosynthesis of dobutamine monoglucuronides and glucuronidation of dobutamine by recombinant human Udp-glucuronosyltransferases, Drug Metab. Dispos, vol.33, issue.5, pp.657-663, 2005. ,
Evaluation of the metabolism of propranolol by linear ion trap technology in mouse, rat, dog, monkey, and human cryopreserved hepatocytes, Rapid Commun. Mass Spectrom, vol.23, issue.14, pp.2146-2150, 2009. ,
,
Chemical Carcinogenesis and Mutagenesis I, 1990. ,
Metabolism of the tobacco carcinogen 2-amino-9h-pyrido[2,3-b]indole (A?C) in primary human hepatocytes, Chem. Res. Toxicol, vol.30, issue.2, pp.657-668, 2017. ,
Early prediction of drug metabolism and toxicity: systems biology approach and modeling, Drug Discov. Today, vol.9, issue.3, pp.127-135, 2004. ,
Metabolic oxidation of the carcinogens 4-aminobiphenyl and 4,4'-methylenebis(2-chloroaniline) by human hepatic microsomes and by purified rat hepatic cytochrome P-450 monooxygenases, Cancer Res, vol.49, issue.1, pp.25-31, 1989. ,
Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics, J. Chem. Inf. Comput. Sci, vol.43, issue.5, pp.1371-1377, 2003. ,
Bioactivation of heterocyclic aromatic amines by UDP glucuronosyltransferases, Chem. Res. Toxicol, vol.29, issue.5, pp.879-891, 2016. ,
Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s, J. Chem. Inf. Model, vol.52, issue.9, pp.2471-2483, 2012. ,
Microsomal deacetylation of ring-hydroxylated 2-(acetylamino)fluorene isomers: effect of ring position and molecular mechanics considerations, J. Biochem. Mol. Toxicol, vol.13, issue.5, pp.279-286, 1999. ,
Aromatic Amines: An Assessment of the Biological and Environmental Effects. National Academies google-Books-ID: slArAAAAYAAJ, 1981. ,
MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist, J. Med. Chem, vol.48, issue.22, pp.6970-6979, 2005. ,
A simple model predicts UGT-mediated metabolism, Bioinformatics, vol.32, issue.20, pp.3183-3189, 2016. ,
Metabolexpert: an expert system for predicting metabolism of substances, QSAR in Environmental Toxicology -II, pp.71-81, 1987. ,
Combined data mining strategy for the systematic identification of sport drug metabolites in urine by liquid chromatography time-of-flight mass spectrometry, Anal. Chim. Acta, vol.761, pp.1-10, 2013. ,
1-and 3-hydroxylations, in addition to 4-hydroxylation, of debrisoquine are catalyzed by cytochrome P450 2d6 in humans, Drug Metab. Dispos, vol.26, issue.11, pp.1096-1101, 1998. ,
The N-glucuronidation of xenobiotics. An aspet-supported symposium held at the 1996 faseb meeting in, Drug Metab. Dispos.: Biol. Fate Chem, vol.26, issue.9, p.829, 1998. ,
Hepatic Noxidation, acetyl-transfer and DNA-binding of the acetylated metabolites of the carcinogen, benzidine, Carcinogenesis, vol.6, issue.7, pp.959-965, 1985. ,
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy, J. Med. Chem, vol.47, issue.7, pp.1739-1749, 2004. ,
Heterocyclic aromatic amines in cooked meat products: causes, formation, occurrence, and risk assessment, Compr. Rev. Food Sci. Food Saf, vol.15, issue.2, pp.269-302, 2016. ,
Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening, J. Med. Chem, vol.47, issue.7, pp.1750-1759, 2004. ,
Metabolic oxidation of carcinogenic arylamines by rat, dog, and human hepatic microsomes and by purified flavin-containing and cytochrome P-450 monooxygenases, Cancer Res, vol.45, issue.8, pp.3578-3585, 1985. ,
Catalytic specificity of CYP2d isoforms in rat and human, Drug Metab. Dispos, vol.30, issue.9, pp.970-976, 2002. ,
Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione, Chem. Res. Toxicol, vol.28, issue.4, pp.797-809, 2015. ,
Modeling reactivity to biological macromolecules with a deep multitask network, ACS Cent. Sci, vol.2, issue.8, pp.529-537, 2016. ,
Identifying and applying a highly selective probe to simultaneously determine the O-glucuronidation activity of human UGT1a3 and UGT1a4, Sci. Rep, 2015. ,
Hepatic microsomal N-glucuronidation and nucleic acid binding of N-hydroxy arylamines in relation to urinary bladder carcinogenesis, Cancer Res, vol.37, issue.3, pp.805-814, 1977. ,
N-glucuronidation of drugs and other xenobiotics by human and animal UDP-glucuronosyltransferases, Xenobiotica, vol.41, issue.8, pp.652-669, 2011. ,
Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms, J. Chem. Inf. Model, vol.52, issue.3, pp.617-648, 2012. ,
META. 1. A program for the evaluation of metabolic transformation of chemicals, J. Chem. Inf. Comput. Sci, vol.34, issue.6, pp.1320-1325, 1994. ,
META. 3. A genetic algorithm for metabolic transform priorities optimization, J. Chem. Inf. Comput. Sci, vol.37, issue.2, pp.329-334, 1997. ,
Metabolism of 2-amino-3,8-dimethylimidazo [4,5-f]quinoxaline in human hepatocytes: 2-amino-3-methylimidazo[4,5-f]quinoxaline-8-carboxylic acid is a major detoxification pathway catalyzed by cytochrome P450 1a2, Chem. Res. Toxicol, vol.14, issue.2, pp.211-221, 2001. ,
Differential metabolism of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine in rat and human hepatocytes, Carcinogenesis, vol.23, issue.1, pp.115-122, 2002. ,
The detoxification enzyme systems, Altern. Med. Rev.: J. Clin. Ther, vol.3, issue.3, pp.187-198, 1998. ,
In silico tools for sharing data and knowledge on toxicity and metabolism: derek for windows, meteor, and vatic, Toxicol. Mech. Methods, vol.18, issue.2-3, pp.177-187, 2008. ,
Metabolic activation of N-hydroxy-N,N'-diacetylbenzidine by hepatic sulfotransferase, Cancer Res, vol.40, issue.3, pp.751-757, 1980. ,
, Overall evaluations of carcinogenicity: an updating of IARC Monographs volumes 1 to 42, IARC Monogr. Eval. Carcinog. Risks Hum. Suppl, vol.7, pp.1-440, 1987.
, 2-Nitrofluorene, IARC Monographs on the Evaluation of Carcinogenic Risks to Humans, vol.46, pp.277-289, 1989.
Quantitation of 13 heterocyclic aromatic amines in cooked beef, pork, and chicken by liquid chromatography-electrospray ionization/tandem mass spectrometry, J. Agric. Food Chem, vol.56, issue.1, pp.68-78, 2008. ,
Metabolism of 1-and 2-naphthylamine in isolated rat hepatocytes, Carcinogenesis, vol.13, issue.12, pp.2227-2232, 1992. ,
Heterocyclic aromatic amines in meat, J. Food Process. Preserv, vol.35, issue.6, pp.739-753, 2011. ,
Chromatographic and related techniques for the determination of aromatic heterocyclic amines in foods, J. Chromatogr. B Biomed. Sci. Appl, vol.747, issue.1-2, pp.139-169, 2000. ,
Biotransformation of Xenobiotics -Casarett & Doull's Essentials of Toxicology, 2e -AccessPharmacy. McGraw-Hill Medical, McGraw-Hill Global Education Holdings, 2010. ,
Pragmatic approaches to using computational methods to predict xenobiotic metabolism, J. Chem. Inf. Model, vol.53, issue.6, pp.1282-1293, 2013. ,
WhichCyp: prediction of cytochromes P450 inhibition, Bioinformatics, vol.29, issue.16, pp.2051-2052, 2013. ,
SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds, Bioinformatics, issue.12, pp.2046-2048, 2015. ,
SMARTCyp: a 2d method for prediction of cytochrome P450-mediated drug metabolism, ACS Med. Chem. Lett, vol.1, issue.3, pp.96-100, 2010. ,
DNA adducts of heterocyclic amine food mutagens: implications for mutagenesis and carcinogenesis, Carcinogenesis, vol.20, issue.3, pp.353-368, 1999. ,
Metabolism and DNA adduct formation of 2-acetylaminofluorene by bladder explants from human, dog, monkey, hamster and rat, Carcinogenesis, vol.5, issue.10, pp.1287-1292, 1984. ,
META. 2. A dictionary model of mammalian xenobiotic metabolism, J. Chem. Inf. Comput. Sci, vol.34, issue.6, pp.1326-1333, 1994. ,
Site of metabolism prediction on cytochrome P450 2c9: a knowledge-based docking approach, J. Comput.-Aided Mol. Des, vol.24, issue.5, pp.399-408, 2010. ,
Biotransformation of Xenobiotics. General, Applied and Systems Toxicology, 2009. ,
The possible involvement of mutagenic and carcinogenic heteroyclic amines in human cancer, Acrylamide and Other Hazardous Compounds in Heat-Treated Foods, pp.296-515, 2006. ,
Metabolism and biomarkers of heterocyclic aromatic amines in molecular epidemiology studies: lessons learned from aromatic amines, Chem. Res. Toxicol, vol.24, issue.8, pp.1169-1214, 2011. ,
Metabolic activation of carcinogenic heterocyclic aromatic amines by human liver and colon, Carcinogenesis, vol.12, issue.10, pp.1839-1845, 1991. ,
Metabolism and biodisposition of heterocyclic amines, Prog. Clin. Biol. Res, vol.347, pp.39-53, 1990. ,
Formation and biochemistry of carcinogenic heterocyclic aromatic amines in cooked meats, Toxicol. Lett, vol.168, issue.3, pp.219-227, 2007. ,
Chemistry, carcinogenicity, and metabolism of 2-fluorenamine and related compounds, Adv. Cancer Res, vol.5, pp.331-431, 1958. ,
XenoSite: accurately predicting CYPmediated sites of metabolism with neural networks, J. Chem. Inf. Model, vol.53, issue.12, pp.3373-3383, 2013. ,
, Toxicology Letters, vol.300, pp.18-30, 2019.