Computational Discovery and Experimental Validation of Inhibitors of the Human Intestinal Transporter OATP2B1. (Q30402582)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

title

Computational Discovery and Experimental Validation of Inhibitors of the Human Intestinal Transporter OATP2B1 (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Sook Wah Yee

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Andrej Šali

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Kathleen Giacomini

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

author name string

Arik A Zur

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Matthias B Wittwer

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

Lawrence Lin

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

publication date

15 June 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Modeling

21 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

volume

57

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

page(s)

1402-1413

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

issue

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

Molecular modeling and ligand docking for solute carrier (SLC) transporters

21 March 2020

cites work

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

DrugBank 3.0: a comprehensive resource for 'omics' research on drugs

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Functional Characterization of pH-Sensitive Organic Anion Transporting Polypeptide OATP-B in Human

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

A selective ATP-binding cassette subfamily G member 2 efflux inhibitor revealed via high-throughput flow cytometry

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

New fluorescent substrate enables quantitative and high-throughput examination of vesicular monoamine transporter 2 (VMAT2)

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

On Information and Sufficiency

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

High selectivity of the γ-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

OATP transporter-mediated drug absorption and interaction

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Organic anion transporting polypeptides of the OATP/ SLC21 family: phylogenetic classification as OATP/ SLCO superfamily, new nomenclature and molecular/functional properties

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Structure-activity relationship study of non-steroidal NPC1L1 ligands identified through cell-based assay using pharmacological chaperone effect as a readout.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Organic anion transporting polypeptide-mediated transport of, and inhibition by, asunaprevir, an inhibitor of hepatitis C virus NS3 protease

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Bosentan is a substrate of human OATP1B1 and OATP1B3: inhibition of hepatic uptake as the common mechanism of its interactions with cyclosporin A, rifampicin, and sildenafil

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Integrating structure- and ligand-based virtual screening: comparison of individual, parallel, and fused molecular docking and similarity search calculations on multiple targets.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Intestinal absorption of HMG-CoA reductase inhibitor pitavastatin mediated by organic anion transporting polypeptide and P-glycoprotein/multidrug resistance 1.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identification of inhibitors of ABCG2 by a bioluminescence imaging-based high-throughput assay

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting peptide (OATP) substrates on OATP1B1, OATP2B1, and OATP1B3.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Oral drug delivery utilizing intestinal OATP transporters

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Discovery of Competitive and Noncompetitive Ligands of the Organic Cation Transporter 1 (OCT1; SLC22A1).

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Effects of one-time apple juice ingestion on the pharmacokinetics of fexofenadine enantiomers.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Screening of OATP1B1/3 and OCT1 inhibitors in cryopreserved hepatocytes in suspension

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Comparative Protein Structure Modeling Using MODELLER

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Virtual screening strategies in drug discovery: a critical review.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Pharmacokinetics of the oral direct renin inhibitor aliskiren in combination with digoxin, atorvastatin, and ketoconazole in healthy subjects: the role of P-glycoprotein in the disposition of aliskiren

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Rapid context-dependent ligand desolvation in molecular docking

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Optimisation and validation of a high throughput screening compatible assay to identify inhibitors of the plasma membrane calcium ATPase pump--a novel therapeutic target for contraception and malaria.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

A high-throughput screen for chemical inhibitors of exocytic transport in yeast

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Structure-based identification of OATP1B1/3 inhibitors

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

pH-sensitive interaction of HMG-CoA reductase inhibitors (statins) with organic anion transporting polypeptide 2B1.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Comparative protein modelling by satisfaction of spatial restraints

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Citrus juices inhibit the function of human organic anion-transporting polypeptide OATP-B.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

ZINC--a free database of commercially available compounds for virtual screening

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Optimized atomic statistical potentials: assessment of protein interfaces and loops

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Support-vector networks

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Expression, regulation and function of intestinal drug transporters: an update

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

The effects of the SLCO2B1 c.1457C > T polymorphism and apple juice on the pharmacokinetics of fexofenadine and midazolam in humans.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Organic anion transporting polypeptide 2B1 is a high-affinity transporter for atorvastatin and is expressed in the human heart

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Modeling Organic Anion-Transporting Polypeptide 1B1 Inhibition to Elucidate Interaction Risks in Early Drug Design.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Potent inhibitors of human organic anion transporters 1 and 3 from clinical drug libraries: discovery and molecular characterization

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Molecular Properties of Drugs Interacting with SLC22 Transporters OAT1, OAT3, OCT1, and OCT2: A Machine-Learning Approach

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Review of P-gp inhibition data in recently approved new drug applications: utility of the proposed [I(1) ]/IC(50) and [I(2) ]/IC(50) criteria in the P-gp decision tree

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Machine learning-, rule- and pharmacophore-based classification on the inhibition of P-glycoprotein and NorA.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identification of upregulators of human ATP-binding cassette transporter A1 via high-throughput screening of a synthetic and natural compound library

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

The meaning and use of the area under a receiver operating characteristic (ROC) curve

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Molecular docking screens using comparative models of proteins

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Microdosing clinical study: pharmacokinetic, pharmacogenomic (SLCO2B1), and interaction (grapefruit juice) profiles of celiprolol following the oral microdose and therapeutic dose

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

The chloride dependence of the human organic anion transporter 1 (hOAT1) is blunted by mutation of a single amino acid

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identification of translational activators of glial glutamate transporter EAAT2 through cell-based high-throughput screening: an approach to prevent excitotoxicity

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identification of a New Class of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitors Followed by a Structure-Activity Relationship Study

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Protein abundance of clinically relevant multidrug transporters along the entire length of the human intestine

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Inhibitor Discovery for the Human GLUT1 from Homology Modeling and Virtual Screening

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

ModBase, a database of annotated comparative protein structure models and associated resources.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Involvement of multiple transporters in the hepatobiliary transport of rosuvastatin

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Mechanisms of pH-gradient driven transport mediated by organic anion polypeptide transporters

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

A small molecule screen identifies selective inhibitors of urea transporter UT-A.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Relevance of conserved lysine and arginine residues in transmembrane helices for the transport activity of organic anion transporting polypeptide 1B3.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

The road map to oral bioavailability: an industrial perspective

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Multidrug resistance reversal agent, NSC77037, identified with a cell-based screening assay

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Science resources. Chemists want NIH to curtail database

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Discovery of a specific inhibitor of human GLUT5 by virtual screening and in vitro transport evaluation

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Clinical significance of organic anion transporting polypeptides (OATPs) in drug disposition: their roles in hepatic clearance and intestinal absorption

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

An Introduction to Kernel and Nearest-Neighbor Nonparametric Regression

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Species difference in the effect of grapefruit juice on intestinal absorption of talinolol between human and rat.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Library screening by means of mass spectrometry (MS) binding assays-exemplarily demonstrated for a pseudostatic library addressing γ-aminobutyric acid (GABA) transporter 1 (GAT1).

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identification of amino acids essential for estrone-3-sulfate transport within transmembrane domain 2 of organic anion transporting polypeptide 1B1.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Intestinal absorption of HMG-CoA reductase inhibitor pravastatin mediated by organic anion transporting polypeptide

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Development and validation of a high-throughput screening assay for human long-chain fatty acid transport proteins 4 and 5.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Meta-analysis of expression of hepatic organic anion-transporting polypeptide (OATP) transporters in cellular systems relative to human liver tissue

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Development of a Support Vector Machine-Based System to Predict Whether a Compound Is a Substrate of a Given Drug Transporter Using Its Chemical Structure

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Genetic polymorphisms of OATP transporters and their impact on intestinal absorption and hepatic disposition of drugs.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Benchmarking sets for molecular docking

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Building Predictive Models inRUsing thecaretPackage

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

SLC Transporters: Structure, Function, and Drug Discovery.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides 1B1 and 1B3.

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Mass-spectrometry-based draft of the human proteome

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Mass spectrometry-based targeted proteomics as a tool to elucidate the expression and function of intestinal drug transporters

1 reference

1 January 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JCIM.6B00720

Identifiers

DOI

10.1021/ACS.JCIM.6B00720

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28562037%20AND%20SRC:MED&resulttype=core&format=json

21 March 2020

1 reference