Published in Drug Metab Dispos on September 22, 2006
DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res (2007) 13.94
In silico pharmacology for drug discovery: applications to targets and beyond. Br J Pharmacol (2007) 1.78
New predictive models for blood-brain barrier permeability of drug-like molecules. Pharm Res (2008) 1.20
Predicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoprotein. PLoS One (2011) 1.17
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
Novel inhibitors of human organic cation/carnitine transporter (hOCTN2) via computational modeling and in vitro testing. Pharm Res (2009) 1.09
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
Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening. Drug Metab Dispos (2010) 0.92
Quantitative structure activity relationship for inhibition of human organic cation/carnitine transporter. Mol Pharm (2010) 0.90
Identification of novel activators of constitutive androstane receptor from FDA-approved drugs by integrated computational and biological approaches. Pharm Res (2012) 0.86
Fusing dual-event data sets for Mycobacterium tuberculosis machine learning models and their evaluation. J Chem Inf Model (2013) 0.85
Activation of the constitutive androstane receptor inhibits gluconeogenesis without affecting lipogenesis or fatty acid synthesis in human hepatocytes. Toxicol Appl Pharmacol (2014) 0.85
Molecular analysis and structure-activity relationship modeling of the substrate/inhibitor interaction site of plasma membrane monoamine transporter. J Pharmacol Exp Ther (2011) 0.85
Computational modeling to accelerate the identification of substrates and inhibitors for transporters that affect drug disposition. Clin Pharmacol Ther (2012) 0.84
Ultra rapidly dissolving repaglinide nanosized crystals prepared via bottom-up and top-down approach: influence of food on pharmacokinetics behavior. AAPS PharmSciTech (2014) 0.84
Chemoinformatic methods for predicting interference in drug of abuse/toxicology immunoassays. Clin Chem (2009) 0.83
Effects of Fluvastatin on the Pharmacokinetics of Repaglinide: Possible Role of CYP3A4 and P-glycoprotein Inhibition by Fluvastatin. Korean J Physiol Pharmacol (2013) 0.82
Molecular similarity methods for predicting cross-reactivity with therapeutic drug monitoring immunoassays. Ther Drug Monit (2009) 0.82
A substrate pharmacophore for the human organic cation/carnitine transporter identifies compounds associated with rhabdomyolysis. Mol Pharm (2012) 0.82
In vivo imaging of multidrug resistance using a third generation MDR1 inhibitor. Bioconjug Chem (2014) 0.81
The comparative efficacy and safety of the angiotensin receptor blockers in the management of hypertension and other cardiovascular diseases. Drug Saf (2015) 0.80
Targeting Mycobacterium tuberculosis topoisomerase I by small-molecule inhibitors. Antimicrob Agents Chemother (2014) 0.79
Using cheminformatics to predict cross reactivity of "designer drugs" to their currently available immunoassays. J Cheminform (2014) 0.78
Systemic uptake of miconazole during vaginal suppository use and effect on CYP1A2 and CYP3A4 associated enzyme activities in women. Eur J Clin Pharmacol (2010) 0.77
Prediction of promiscuous p-glycoprotein inhibition using a novel machine learning scheme. PLoS One (2012) 0.76
HZ08 reverse P-glycoprotein mediated multidrug resistance in vitro and in vivo. PLoS One (2015) 0.75
The putative P-gp inhibitor telmisartan does not affect the transcellular permeability and cellular uptake of the calcium channel antagonist verapamil in the P-glycoprotein expressing cell line MDCK II MDR1. Pharmacol Res Perspect (2015) 0.75
Role of Human Breast Cancer Related Protein versus P-Glycoprotein as an Efflux Transporter for Benzylpenicillin: Potential Importance at the Blood-Brain Barrier. PLoS One (2016) 0.75
Polymorphism of ORM1 is associated with the pharmacokinetics of telmisartan. PLoS One (2013) 0.75
Membrane transporters in drug development. Nat Rev Drug Discov (2010) 8.56
Endocytic mechanisms for targeted drug delivery. Adv Drug Deliv Rev (2007) 2.38
Biopharmaceutics classification system: the scientific basis for biowaiver extensions. Pharm Res (2002) 1.74
A novel method for generation of signature networks as biomarkers from complex high throughput data. Toxicol Lett (2005) 1.71
Molecular basis of vitamin E action: tocotrienol modulates 12-lipoxygenase, a key mediator of glutamate-induced neurodegeneration. J Biol Chem (2003) 1.61
The use of BDDCS in classifying the permeability of marketed drugs. Pharm Res (2008) 1.57
Transport of poly(amidoamine) dendrimers across Caco-2 cell monolayers: Influence of size, charge and fluorescent labeling. Pharm Res (2006) 1.51
Identification of interactive gene networks: a novel approach in gene array profiling of myometrial events during guinea pig pregnancy. Am J Obstet Gynecol (2006) 1.50
Lack of medication dose uniformity in commonly split tablets. J Am Pharm Assoc (Wash) (2002) 1.46
Effects of nonionic surfactants on membrane transporters in Caco-2 cell monolayers. Eur J Pharm Sci (2002) 1.43
Comments on effect of food on early drug exposure from extended-release stimulants: results from the Concerta, Adderall XR food evaluation study. Curr Med Res Opin (2002) 1.41
Camptothecins: a review of their chemotherapeutic potential. Drugs (2002) 1.40
Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery. Drug Discov Today (2009) 1.40
Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites. Mol Pharmacol (2007) 1.39
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation. Drug Discov Today (2012) 1.39
Development of stably transfected monolayer overexpressing the human apical sodium-dependent bile acid transporter (hASBT). Pharm Res (2005) 1.38
Multi-level analysis of organic anion transporters 1, 3, and 6 reveals major differences in structural determinants of antiviral discrimination. J Biol Chem (2008) 1.38
Apical sodium dependent bile acid transporter (ASBT, SLC10A2): a potential prodrug target. Mol Pharm (2006) 1.38
Design, synthesis, cytoselective toxicity, structure-activity relationships, and pharmacophore of thiazolidinone derivatives targeting drug-resistant lung cancer cells. J Med Chem (2008) 1.37
Surface acetylation of polyamidoamine (PAMAM) dendrimers decreases cytotoxicity while maintaining membrane permeability. Bioconjug Chem (2007) 1.36
A ligand-based approach to identify quantitative structure-activity relationships for the androgen receptor. J Med Chem (2004) 1.35
Microfabricated porous silicon particles enhance paracellular delivery of insulin across intestinal Caco-2 cell monolayers. Pharm Res (2003) 1.34
Topology scanning and putative three-dimensional structure of the extracellular binding domains of the apical sodium-dependent bile acid transporter (SLC10A2). Biochemistry (2004) 1.33
Increased acyclovir oral bioavailability via a bile acid conjugate. Mol Pharm (2004) 1.32
In vitro and pharmacophore-based discovery of novel hPEPT1 inhibitors. Pharm Res (2005) 1.30
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
Endocytosis and interaction of poly (amidoamine) dendrimers with Caco-2 cells. Pharm Res (2007) 1.25
Interaction of native bile acids with human apical sodium-dependent bile acid transporter (hASBT): influence of steroidal hydroxylation pattern and C-24 conjugation. Pharm Res (2006) 1.25
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
Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members. J Biol Chem (2007) 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
Endocytosis inhibitors prevent poly(amidoamine) dendrimer internalization and permeability across Caco-2 cells. Mol Pharm (2008) 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
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
Current perspectives on the cellular uptake and trafficking of riboflavin. Adv Drug Deliv Rev (2003) 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
The solute carrier family 10 (SLC10): beyond bile acid transport. Mol Aspects Med (2013) 1.11
Meeting report: applied biopharmaceutics and quality by design for dissolution/release specification setting: product quality for patient benefit. AAPS J (2010) 1.11
Bias in estimation of transporter kinetic parameters from overexpression systems: Interplay of transporter expression level and substrate affinity. J Pharmacol Exp Ther (2006) 1.10
Impact of Biopharmaceutics Classification System-based biowaivers. Mol Pharm (2010) 1.09
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
Molecular switch controlling the binding of anionic bile acid conjugates to human apical sodium-dependent bile acid transporter. J Med Chem (2010) 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
Cellular entry of G3.5 poly (amido amine) dendrimers by clathrin- and dynamin-dependent endocytosis promotes tight junctional opening in intestinal epithelia. Pharm Res (2010) 1.04
Chemical target and pathway toxicity mechanisms defined in primary human cell systems. J Pharmacol Toxicol Methods (2009) 1.04
Efflux of depsipeptide FK228 (FR901228, NSC-630176) is mediated by P-glycoprotein and multidrug resistance-associated protein 1. J Pharmacol Exp Ther (2005) 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
Membrane topology of human ASBT (SLC10A2) determined by dual label epitope insertion scanning mutagenesis. New evidence for seven transmembrane domains. Biochemistry (2006) 1.03
Influence of charge and steric bulk in the C-24 region on the interaction of bile acids with human apical sodium-dependent bile acid transporter. Mol Pharm (2006) 1.03
Transmembrane domain VII of the human apical sodium-dependent bile acid transporter ASBT (SLC10A2) lines the substrate translocation pathway. Mol Pharmacol (2006) 1.01
Site-directed mutagenesis and use of bile acid-MTS conjugates to probe the role of cysteines in the human apical sodium-dependent bile acid transporter (SLC10A2). Biochemistry (2005) 1.01
Structural determinants for transport across the intestinal bile acid transporter using C-24 bile acid conjugates. Mol Pharm (2010) 1.01
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
Method to screen substrates of apical sodium-dependent bile acid transporter. AAPS J (2008) 1.00
Structural determinants of P-glycoprotein-mediated transport of glucocorticoids. Pharm Res (2003) 1.00
Analogs of methyllycaconitine as novel noncompetitive inhibitors of nicotinic receptors: pharmacological characterization, computational modeling, and pharmacophore development. Mol Pharmacol (2007) 1.00
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
Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach. Curr Comput Aided Drug Des (2011) 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
Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b5). Drug Metab Dispos (2007) 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
Surfactant-mediated dissolution: contributions of solubility enhancement and relatively low micelle diffusivity. J Pharm Sci (2004) 0.94
Combining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against Mycobacterium tuberculosis. Pharm Res (2012) 0.94