Research graph
References from Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism. Local targets link to admitted publications; unresolved targets remain external evidence.
Aldehyde oxidase: an enzyme of emerging importance in drug discovery
10.1021/jm100888d · 2010 · External reference
Structure–metabolism relationships in human-AOX: chemical insights from a large database of aza-aromatic and amide compounds
10.1073/pnas.1618881114 · 2017 · External reference
10.1124/dmd.114.061804
10.1124/dmd.114.061804 · External reference
Case report of extensive metabolism by aldehyde oxidase in humans: pharmacokinetics and metabolite profile of FK3453 in rats, dogs, and humans
10.3109/00498254.2010.549970 · 2011 · External reference
Unexpected renal toxicity associated with SGX523, a small molecule inhibitor of MET
10.1007/s10637-012-9823-9 · 2013 · External reference
10.1158/1078-0432.ccr-14-3258
10.1158/1078-0432.ccr-14-3258 · External reference
10.1038/tpj.2010.8
10.1038/tpj.2010.8 · External reference
The SMARTCyp cytochrome P450 metabolism prediction server
10.1093/bioinformatics/btq584 · 2010 · External reference
SMARTCyp: a 2D method for prediction of cytochrome P450-mediated drug metabolism
10.1021/ml100016x · 2010 · External reference
Predicting regioselectivity and lability of cytochrome P450 metabolism using quantum mechanical simulations
10.1021/acs.jcim.6b00233 · 2016 · External reference
FAME 2: simple and effective machine learning model of cytochrome P450 Regioselectivity
10.1021/acs.jcim.7b00250 · 2017 · External reference
Optimization of the expression of human aldehyde oxidase for investigations of single-nucleotide polymorphisms
10.1124/dmd.115.068395 · 2016 · External reference
Structural insights into xenobiotic and inhibitor binding to human aldehyde oxidase
10.1038/nchembio.1895 · 2015 · External reference
Structure and function of mammalian aldehyde oxidases
10.1007/s00204-016-1683-1 · 2016 · External reference
Studies on the mechanism of aldehyde oxidase and xanthine oxidase
10.1021/jo801053u · 2008 · External reference
Predicting intrinsic clearance for drugs and drug candidates metabolized by aldehyde oxidase
10.1021/mp300568r · 2013 · External reference
Aldehyde oxidase: reaction mechanism and prediction of site of metabolism
10.1021/acsomega.7b00658 · 2017 · External reference
The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity
10.1074/jbc.m112.390419 · 2012 · External reference
Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase
10.1021/jm0703690 · 2007 · External reference
Aldehyde oxidase mediated metabolism in drug-like molecules: a combined computational and experimental study
10.1021/acs.jmedchem.7b00019 · 2017 · External reference
The contribution of atom accessibility to site of metabolism models for cytochromes P450
10.1021/mp3005116 · 2013 · External reference
Computational predictions of the site of metabolism of cytochrome P450 2D6 substrates: comparative analysis, molecular docking, bioactivation and toxicological implications
10.3109/03602532.2015.1047026 · 2015 · External reference
XenoSite: accurately predicting CYP-mediated sites of metabolism with neural networks
10.1021/ci400518g · 2013 · External reference
Substrate specificity of human liver aldehyde oxidase toward substituted quinazolines and phthalazines: a comparison with hepatic enzyme from Guinea pig, rabbit, and baboon
10.1006/abbi.1995.1320 · 1995 · External reference
10.1002/chem.201605094
10.1002/chem.201605094 · External reference
Both reactivity and accessibility are important in cytochrome P450 metabolism: a combined DFT and MD study of Fenamic acids in BM3 mutants
10.1021/acs.jcim.8b00750 · 2019 · External reference
Metabolites of [(14)C]-5-(2-ethyl-2H-tetrazol-5-yl)-1-methyl-1,2,3, 6-tetrahydropyridine in mice, rats, dogs, and humans
10.1016/s0090-9556(24)14937-9 · 1999 · External reference
Evidence for substrate-dependent inhibition profiles for human liver aldehyde oxidase
10.1124/dmd.112.048546 · 2012 · External reference
10.1007/978-3-540-78246-9_38
10.1007/978-3-540-78246-9_38 · 2008 · External reference
Epik: a software program for pKa prediction and protonation state generation for drug-like molecules
10.1007/s10822-007-9133-z · 2007 · External reference
10.1007/s10822-010-9349-1
10.1007/s10822-010-9349-1 · External reference
10.1021/ct900587b
10.1021/ct900587b · External reference
10.1021/acs.jctc.5b00864
10.1021/acs.jctc.5b00864 · External reference
10.1021/ja9621760
10.1021/ja9621760 · External reference
10.1021/ja00214a001
10.1021/ja00214a001 · External reference
10.1002/qua.24481
10.1002/qua.24481 · External reference
10.1016/0040-4020(80)80168-2
10.1016/0040-4020(80)80168-2 · External reference
Unresolved reference
External reference
MONA 2: a light cheminformatics platform for interactive compound library processing
10.1021/acs.jcim.5b00292 · 2015 · External reference
