Published in J Med Chem on January 02, 2003
Molecular docking: a powerful approach for structure-based drug discovery. Curr Comput Aided Drug Des (2011) 1.53
Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism. J Comput Aided Mol Des (2010) 0.88
Antidotes to anthrax lethal factor intoxication. Part 2: structural modifications leading to improved in vivo efficacy. Bioorg Med Chem Lett (2011) 0.86
Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions. Br J Pharmacol (2007) 0.84
Pharmacokinetics of mirtazapine and its main metabolites after single intravenous and oral administrations in rats at two dose rates. Daru (2014) 0.79
Integrating computational and mixture-based screening of combinatorial libraries. J Mol Model (2010) 0.79
Modelling species selectivity in rat and human cytochrome P450 2D enzymes. PLoS One (2013) 0.76
Fish bioaccumulation and biomarkers in environmental risk assessment: a review. Environ Toxicol Pharmacol (2003) 4.19
Enzyme-catalyzed activation of anticancer prodrugs. Pharmacol Rev (2004) 1.91
The brefeldin A-inhibited guanine nucleotide-exchange protein, BIG2, regulates the constitutive release of TNFR1 exosome-like vesicles. J Biol Chem (2007) 1.44
Neuroprotective effects of lithium in cultured cells and animal models of diseases. Bipolar Disord (2002) 1.41
Involvement of CYP2J2 and CYP4F12 in the metabolism of ebastine in human intestinal microsomes. J Pharmacol Exp Ther (2002) 1.26
Cytochrome p450 in silico: an integrative modeling approach. J Med Chem (2005) 1.22
Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method. J Med Chem (2004) 1.10
A 3D in vitro model of differentiated HepG2 cell spheroids with improved liver-like properties for repeated dose high-throughput toxicity studies. Arch Toxicol (2014) 1.09
Binding mode prediction of cytochrome p450 and thymidine kinase protein-ligand complexes by consideration of water and rescoring in automated docking. J Med Chem (2005) 1.07
The role of water molecules in computational drug design. Curr Top Med Chem (2010) 1.06
Different mechanisms for inhibition of human cytochromes P450 1A1, 1A2, and 1B1 by polycyclic aromatic inhibitors. Chem Res Toxicol (2007) 1.05
Bisphenol A binds to protein disulfide isomerase and inhibits its enzymatic and hormone-binding activities. Endocrinology (2006) 1.05
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking. J Med Chem (2006) 1.03
Inhibition of human recombinant cytochrome P450s by curcumin and curcumin decomposition products. Toxicology (2007) 1.02
Liquid chromatography/tandem mass spectrometry detection of covalent binding of acetaminophen to human serum albumin. Drug Metab Dispos (2007) 1.02
Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques. Drug Metab Dispos (2008) 1.02
Identification of critical residues in novel drug metabolizing mutants of cytochrome P450 BM3 using random mutagenesis. J Med Chem (2007) 1.01
CYP2A13 expressed in human bladder metabolically activates 4-aminobiphenyl. Int J Cancer (2006) 0.97
Heat shock cognate protein 70 is essential for Akt signaling in endothelial function. Arterioscler Thromb Vasc Biol (2009) 0.96
Localization of rat cytochrome P450 in various tissues and comparison of arachidonic acid metabolism by rat P450 with that by human P450 orthologs. Drug Metab Pharmacokinet (2005) 0.96
Diclofenac inhibits tumor necrosis factor-α-induced nuclear factor-κB activation causing synergistic hepatocyte apoptosis. Hepatology (2011) 0.95
Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450. Expert Opin Drug Metab Toxicol (2008) 0.95
Evaluation of a multi-parameter biomarker set for oxidative damage in man: increased urinary excretion of lipid, protein and DNA oxidation products after one hour of exercise. Free Radic Res (2004) 0.95
Epoxyeicosatrienoic acids and/or their metabolites promote hypoxic response of cells. J Pharmacol Sci (2008) 0.94
Formation of 8-hydroxydeoxyguanosine and cell-cycle arrest in the rat liver via generation of oxidative stress by phenobarbital: association with expression profiles of p21(WAF1/Cip1), cyclin D1 and Ogg1. Carcinogenesis (2002) 0.94
Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations. Drug Metab Dispos (2010) 0.93
Apigenin suppresses the expression of VEGF, an important factor for angiogenesis, in endothelial cells via degradation of HIF-1alpha protein. FEBS Lett (2004) 0.92
Molecular modeling-guided site-directed mutagenesis of cytochrome P450 2D6. Curr Drug Metab (2007) 0.92
Application of drug metabolising mutants of cytochrome P450 BM3 (CYP102A1) as biocatalysts for the generation of reactive metabolites. Chem Biol Interact (2007) 0.92
Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: in silico predictions and experimental validation. J Med Chem (2005) 0.92
Role of phenobarbital-inducible cytochrome P450s as a source of active oxygen species in DNA-oxidation. Cancer Lett (2004) 0.92
Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method. J Chem Inf Model (2006) 0.91
Role of the conserved threonine 309 in mechanism of oxidation by cytochrome P450 2D6. Biochem Biophys Res Commun (2005) 0.91
Alpha-benzene hexachloride exerts hormesis in preneoplastic lesion formation of rat hepatocarcinogenesis with the possible role for hepatic detoxifying enzymes. Cancer Lett (2005) 0.90
Mechanisms of chemopreventive effects of 8-methoxypsoralen against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone-induced mouse lung adenomas. Carcinogenesis (2005) 0.90
Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands. J Chem Inf Model (2009) 0.89
Cytochrome P450 2D catalyze steroid 21-hydroxylation in the brain. Endocrinology (2003) 0.89
AMAP, the alleged non-toxic isomer of acetaminophen, is toxic in rat and human liver. Arch Toxicol (2012) 0.89
Comparative cytotoxicity of N-substituted N'-(4-imidazole-ethyl)thiourea in precision-cut rat liver slices. Toxicology (2004) 0.88
Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations. Eur Biophys J (2007) 0.88
NADPH-cytochrome P-450 reductase in the plasma membrane modulates the activation of hypoxia-inducible factor 1. J Biol Chem (2002) 0.87
Determination and identification of estrogenic compounds generated with biosynthetic enzymes using hyphenated screening assays, high resolution mass spectrometry and off-line NMR. J Chromatogr B Analyt Technol Biomed Life Sci (2010) 0.87
Simultaneous determination of tyrosine, phenylalanine and deoxyguanosine oxidation products by liquid chromatography-tandem mass spectrometry as non-invasive biomarkers for oxidative damage. J Chromatogr B Analyt Technol Biomed Life Sci (2004) 0.86
Rapid on-line profiling of estrogen receptor binding metabolites of tamoxifen. J Med Chem (2006) 0.86
Heterotropic and homotropic cooperativity by a drug-metabolising mutant of cytochrome P450 BM3. Biochem Biophys Res Commun (2006) 0.86
Induction of glutathione-S-transferase mRNA levels by chemopreventive selenocysteine Se-conjugates. Biochem Pharmacol (2002) 0.86
Online biochemical detection of glutathione-S-transferase P1-specific inhibitors in complex mixtures. J Biomol Screen (2007) 0.86
Effect of genetic polymorphism on the metabolism of endogenous neuroactive substances, progesterone and p-tyramine, catalyzed by CYP2D6. Brain Res Mol Brain Res (2004) 0.86
Phenobarbital at low dose exerts hormesis in rat hepatocarcinogenesis by reducing oxidative DNA damage, altering cell proliferation, apoptosis and gene expression. Carcinogenesis (2003) 0.85
Over-expression of protein disulfide isomerase reduces the release of growth hormone induced by bisphenol A and/or T3. Mol Cell Endocrinol (2007) 0.85
Influence of phenylalanine 120 on cytochrome P450 2D6 catalytic selectivity and regiospecificity: crucial role in 7-methoxy-4-(aminomethyl)-coumarin metabolism. Biochem Pharmacol (2004) 0.84
CYP2D in the brain. Drug Metab Pharmacokinet (2003) 0.84
Combining substrate dynamics, binding statistics, and energy barriers to rationalize regioselective hydroxylation of octane and lauric acid by CYP102A1 and mutants. Protein Sci (2007) 0.84
Evaluation of alkoxyresorufins as fluorescent substrates for cytochrome P450 BM3 and site-directed mutants. Anal Biochem (2005) 0.84
A single active site mutation inverts stereoselectivity of 16-hydroxylation of testosterone catalyzed by engineered cytochrome P450 BM3. Chembiochem (2012) 0.84
Cytochrome p450 gene expression levels in peripheral blood mononuclear cells in comparison with the liver. Cancer Sci (2004) 0.83
Detailed low-dose study of 1,1-bis(p-chlorophenyl)-2,2,2- trichloroethane carcinogenesis suggests the possibility of a hormetic effect. Int J Cancer (2002) 0.83
Glutathione-S-transferase pi as a model protein for the characterisation of chemically reactive metabolites. Proteomics (2008) 0.83
A flow-through fluorescence polarization detection system for measuring GPCR-mediated modulation of cAMP production. J Biomol Screen (2007) 0.83
Development of three parallel cytochrome P450 enzyme affinity detection systems coupled on-line to gradient high-performance liquid chromatography. Drug Metab Dispos (2007) 0.83
cAMP-dependent protein kinase A (PKA) signaling induces TNFR1 exosome-like vesicle release via anchoring of PKA regulatory subunit RIIbeta to BIG2. J Biol Chem (2008) 0.82
CYP3A induction aggravates endotoxemic liver injury via reactive oxygen species in male rats. Free Radic Biol Med (2004) 0.82
Development of a novel cytochrome p450 bioaffinity detection system coupled online to gradient reversed-phase high-performance liquid chromatography. J Biomol Screen (2005) 0.82
Dose-dependence of promotion of 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline-induced rat hepatocarcinogenesis by ethanol: evidence for a threshold. Cancer Sci (2005) 0.82
The role of phenylalanine 483 in cytochrome P450 2D6 is strongly substrate dependent. Biochem Pharmacol (2005) 0.82
Subunits Rip1p and Cox9p of the respiratory chain contribute to diclofenac-induced mitochondrial dysfunction. Microbiology (2010) 0.82
Catalytic specificity of CYP2D isoforms in rat and human. Drug Metab Dispos (2002) 0.81
Structural rationalization of novel drug metabolizing mutants of cytochrome P450 BM3. Proteins (2008) 0.81
Non-genomic modulation of dopamine release by bisphenol-A in PC12 cells. J Neurochem (2003) 0.81