Published in Drug Metab Dispos on June 01, 2002
Metabolomic and genetic analysis of biomarkers for peroxisome proliferator-activated receptor alpha expression and activation. Mol Endocrinol (2007) 1.50
Three-dimensional quantitative structure-activity relationship studies on UGT1A9-mediated 3-O-glucuronidation of natural flavonols using a pharmacophore-based comparative molecular field analysis model. J Pharmacol Exp Ther (2010) 0.97
Modeling kinetics of subcellular disposition of chemicals. Chem Rev (2009) 0.96
Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets. J Chem Inf Model (2015) 0.88
Understanding substrate selectivity of human UDP-glucuronosyltransferases through QSAR modeling and analysis of homologous enzymes. Xenobiotica (2012) 0.81
Human UDP-Glucuronosyltransferases: Effects of altered expression in breast and pancreatic cancer cell lines. Cancer Biol Ther (2015) 0.76
Nomenclature update for the mammalian UDP glycosyltransferase (UGT) gene superfamily. Pharmacogenet Genomics (2005) 2.98
A novel method for generation of signature networks as biomarkers from complex high throughput data. Toxicol Lett (2005) 1.71
Glucuronidation of dihydroartemisinin in vivo and by human liver microsomes and expressed UDP-glucuronosyltransferases. Drug Metab Dispos (2002) 1.70
Rapid identification of P-glycoprotein substrates and inhibitors. Drug Metab Dispos (2006) 1.68
Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery. Drug Discov Today (2009) 1.40
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation. Drug Discov Today (2012) 1.39
Design, synthesis, cytoselective toxicity, structure-activity relationships, and pharmacophore of thiazolidinone derivatives targeting drug-resistant lung cancer cells. J Med Chem (2008) 1.37
Computational models for drug inhibition of the human apical sodium-dependent bile acid transporter. Mol Pharm (2009) 1.26
Mobile apps for chemistry in the world of drug discovery. Drug Discov Today (2011) 1.26
Methods for predicting human drug metabolism. Adv Clin Chem (2007) 1.24
A quality alert and call for improved curation of public chemistry databases. Drug Discov Today (2011) 1.22
Molecular determinants of substrate/inhibitor binding to the human and rabbit renal organic cation transporters hOCT2 and rbOCT2. Mol Pharmacol (2005) 1.21
New predictive models for blood-brain barrier permeability of drug-like molecules. Pharm Res (2008) 1.20
The importance of discerning shape in molecular pharmacology. Trends Pharmacol Sci (2009) 1.17
A generalizable pre-clinical research approach for orphan disease therapy. Orphanet J Rare Dis (2012) 1.16
Pharmacophore-based discovery of ligands for drug transporters. Adv Drug Deliv Rev (2006) 1.15
Glucuronidation as a mechanism of intrinsic drug resistance in human colon cancer: reversal of resistance by food additives. Cancer Res (2003) 1.14
Reaching out to collaborators: crowdsourcing for pharmaceutical research. Pharm Res (2010) 1.14
A comprehensive in vitro and in silico analysis of antibiotics that activate pregnane X receptor and induce CYP3A4 in liver and intestine. Drug Metab Dispos (2008) 1.14
Bacterial peptide recognition and immune activation facilitated by human peptide transporter PEPT2. Am J Respir Cell Mol Biol (2008) 1.13
Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicine. BMC Emerg Med (2009) 1.12
Novel inhibitors of human organic cation/carnitine transporter (hOCTN2) via computational modeling and in vitro testing. Pharm Res (2009) 1.09
Elucidating the 'Jekyll and Hyde' nature of PXR: the case for discovering antagonists or allosteric antagonists. Pharm Res (2009) 1.09
Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1. Mol Pharmacol (2003) 1.08
Evolution of the bile salt nuclear receptor FXR in vertebrates. J Lipid Res (2008) 1.08
Molecular determinants of ligand selectivity for the human multidrug and toxin extruder proteins MATE1 and MATE2-K. J Pharmacol Exp Ther (2012) 1.07
Multifaceted roles of ultra-rare and rare disease patients/parents in drug discovery. Drug Discov Today (2013) 1.07
Ligand specificity and evolution of liver X receptors. J Steroid Biochem Mol Biol (2008) 1.06
Challenges and recommendations for obtaining chemical structures of industry-provided repurposing candidates. Drug Discov Today (2012) 1.05
Chemical target and pathway toxicity mechanisms defined in primary human cell systems. J Pharmacol Toxicol Methods (2009) 1.04
Essential metabolites of Mycobacterium tuberculosis and their mimics. MBio (2011) 1.04
Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties. Drug Metab Dispos (2010) 1.04
Time for cooperation in health economics among the modelling community. Pharmacoeconomics (2010) 1.04
Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1 and human OATP1B1. J Pharmacol Exp Ther (2005) 1.01
Shape signatures: new descriptors for predicting cardiotoxicity in silico. Chem Res Toxicol (2008) 1.01
Structure-activity relationship for FDA approved drugs as inhibitors of the human sodium taurocholate cotransporting polypeptide (NTCP). Mol Pharm (2013) 0.99
Machine learning methods and docking for predicting human pregnane X receptor activation. Chem Res Toxicol (2008) 0.99
PXR and the regulation of apoA1 and HDL-cholesterol in rodents. Pharmacol Res (2004) 0.98
Evolution of promiscuous nuclear hormone receptors: LXR, FXR, VDR, PXR, and CAR. Mol Cell Endocrinol (2010) 0.97
Parallel worlds of public and commercial bioactive chemistry data. J Med Chem (2014) 0.97
Structural biology and function of solute transporters: implications for identifying and designing substrates. Drug Metab Rev (2002) 0.97
The effect of valproic acid on drug and steroid glucuronidation by expressed human UDP-glucuronosyltransferases. Biochem Pharmacol (2003) 0.97
Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b5). Drug Metab Dispos (2007) 0.96
GPU accelerated support vector machines for mining high-throughput screening data. J Chem Inf Model (2009) 0.96
Redefining Cheminformatics with Intuitive Collaborative Mobile Apps. Mol Inform (2012) 0.96
Comprehensive computational assessment of ADME properties using mapping techniques. Curr Drug Discov Technol (2005) 0.95
Computational models to assign biopharmaceutics drug disposition classification from molecular structure. Pharm Res (2007) 0.94
Combining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against Mycobacterium tuberculosis. Pharm Res (2012) 0.94
Novel yeast-based strategy unveils antagonist binding regions on the nuclear xenobiotic receptor PXR. J Biol Chem (2013) 0.93
Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibition. Chem Res Toxicol (2010) 0.93
Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening. J Chem Inf Model (2013) 0.93
Intrinsic disorder in nuclear hormone receptors. J Proteome Res (2008) 0.92
Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening. Drug Metab Dispos (2010) 0.92
Optimizing higher throughput methods to assess drug-drug interactions for CYP1A2, CYP2C9, CYP2C19, CYP2D6, rCYP2D6, and CYP3A4 in vitro using a single point IC(50). J Biomol Screen (2002) 0.91
Amino terminal domains of human UDP-glucuronosyltransferases (UGT) 2B7 and 2B15 associated with substrate selectivity and autoactivation. Biochem Pharmacol (2006) 0.91
Pharmacophore modeling of cytochromes P450. Adv Drug Deliv Rev (2002) 0.90
Reengineering the pharmaceutical industry by crash-testing molecules. Drug Discov Today (2005) 0.90
Effects of antipsychotic drugs on I(to), I (Na), I (sus), I (K1), and hERG: QT prolongation, structure activity relationship, and network analysis. Pharm Res (2006) 0.90
Quantitative structure activity relationship for inhibition of human organic cation/carnitine transporter. Mol Pharm (2010) 0.90
Computational models for neglected diseases: gaps and opportunities. Pharm Res (2013) 0.89
Troubleshooting computational methods in drug discovery. J Pharmacol Toxicol Methods (2010) 0.89
The evolution of farnesoid X, vitamin D, and pregnane X receptors: insights from the green-spotted pufferfish (Tetraodon nigriviridis) and other non-mammalian species. BMC Biochem (2011) 0.89
Kohonen maps for prediction of binding to human cytochrome P450 3A4. Drug Metab Dispos (2004) 0.88
Kinase inhibitor data modeling and de novo inhibitor design with fragment approaches. J Med Chem (2009) 0.88
The importance of cysteine 126 in the human liver UDP-glucuronosyltransferase UGT1A6. Biochim Biophys Acta (2002) 0.88
Glucuronidation of catechols by human hepatic, gastric, and intestinal microsomal UDP-glucuronosyltransferases (UGT) and recombinant UGT1A6, UGT1A9, and UGT2B7. Arch Biochem Biophys (2003) 0.88
Hybrid scoring and classification approaches to predict human pregnane X receptor activators. Pharm Res (2008) 0.88
The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation. Drug Metab Dispos (2009) 0.87
A retrospective randomized study of asthma control in the US: results of the CHARIOT study. Curr Med Res Opin (2008) 0.87
Alternative business models for drug discovery. Drug Discov Today (2011) 0.87
Human immunodeficiency virus protease inhibitors interact with ATP binding cassette transporter 4/multidrug resistance protein 4: a basis for unanticipated enhanced cytotoxicity. Mol Pharmacol (2013) 0.87
Conjugation of catechols by recombinant human sulfotransferases, UDP-glucuronosyltransferases, and soluble catechol O-methyltransferase: structure-conjugation relationships and predictive models. Drug Metab Dispos (2003) 0.86
Why open drug discovery needs four simple rules for licensing data and models. PLoS Comput Biol (2012) 0.86
Modeling of active transport systems. Adv Drug Deliv Rev (2002) 0.86
Enhanced clearance of topoisomerase I inhibitors from human colon cancer cells by glucuronidation. Biochem Pharmacol (2002) 0.86
Computational prediction and validation of an expert's evaluation of chemical probes. J Chem Inf Model (2014) 0.84
Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors. Pharm Res (2009) 0.84
N-glucuronidation of carbamazepine in human tissues is mediated by UGT2B7. J Pharmacol Exp Ther (2004) 0.84
Why we should be vigilant: drug cytotoxicity observed with in vitro transporter inhibition studies. Biochem Pharmacol (2010) 0.83
Chemoinformatic methods for predicting interference in drug of abuse/toxicology immunoassays. Clin Chem (2009) 0.83
Computational mapping tools for drug discovery. Drug Discov Today (2009) 0.83
Drug transporters on arachnoid barrier cells contribute to the blood-cerebrospinal fluid barrier. Drug Metab Dispos (2013) 0.83
Molecular similarity methods for predicting cross-reactivity with therapeutic drug monitoring immunoassays. Ther Drug Monit (2009) 0.82
Evidence for multiple glucuronide transporters in rat liver microsomes. Biochem Pharmacol (2004) 0.82
Classification of metabolites with kernel-partial least squares (K-PLS). Drug Metab Dispos (2006) 0.82
Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships. J Mol Graph Model (2008) 0.82
Two farnesoid X receptor alpha isoforms in Japanese medaka (Oryzias latipes) are differentially activated in vitro. Aquat Toxicol (2010) 0.81
Applications and limitations of in silico models in drug discovery. Methods Mol Biol (2012) 0.81
Quantitative structure-metabolism relationship modeling of metabolic N-dealkylation reaction rates. Drug Metab Dispos (2004) 0.81
Farnesol is glucuronidated in human liver, kidney and intestine in vitro, and is a novel substrate for UGT2B7 and UGT1A1. Biochem J (2004) 0.81
Targeting drug transporters - combining in silico and in vitro approaches to predict in vivo. Methods Mol Biol (2010) 0.81
Cloning and characterisation of the first drug-metabolising canine UDP-glucuronosyltransferase of the 2B subfamily. Biochem Pharmacol (2003) 0.80
Accelerating two algorithms for large-scale compound selection on GPUs. J Chem Inf Model (2011) 0.80
Understanding nuclear receptors using computational methods. Drug Discov Today (2009) 0.80
Evaluation of computational docking to identify pregnane X receptor agonists in the ToxCast database. Environ Health Perspect (2010) 0.80
Selectivity data: assessment, predictions, concordance, and implications. J Med Chem (2013) 0.80
Knowledge-Based Strategy to Improve Ligand Pose Prediction Accuracy for Lead Optimization. J Chem Inf Model (2015) 0.79
A novel method for the immunoquantification of UDP-glucuronosyltransferases in human tissue. Drug Metab Dispos (2011) 0.79
Novel diaryl ureas with efficacy in a mouse model of malaria. Bioorg Med Chem Lett (2012) 0.79
Molecular and functional characterization of microsomal UDP-glucuronic acid uptake by members of the nucleotide sugar transporter (NST) family. Biochem J (2006) 0.79