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References from Current Advances in Studying Clinically Relevant Transporters of the Solute Carrier (SLC) Family by Connecting Computational Modeling and Data Science. Local targets link to admitted publications; unresolved targets remain external evidence.
Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1
10.1021/jm8003152 · 2008 · External reference
Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening
2015 · External reference
10.1021/jacs.6b11467
10.1021/jacs.6b11467 · External reference
Polymorphisms in OCTN1 and OCTN2 transporters genes are associated with prolonged time to progression in unresectable gastrointestinal stromal tumours treated with imatinib therapy
10.1016/j.phrs.2012.10.015 · 2013 · External reference
Molecular determinants of ligand selectivity for the human multidrug and toxin extruder proteins MATE1 and MATE2-K
10.1124/jpet.112.191577 · 2012 · External reference
Screening of OATP1B1/3 and OCT1 inhibitors in cryopreserved hepatocytes in suspension
10.1016/j.ejps.2010.03.023 · 2010 · External reference
Naringin is a major and selective clinical inhibitor of organic anion-transporting polypeptide 1A2 (OATP1A2) in grapefruit juice
10.1038/sj.clpt.6100104 · 2007 · External reference
10.1007/978-1-4939-8630-9_5
10.1007/978-1-4939-8630-9_5 · 2018 · External reference
10.1021/acs.jcim.5b00338
10.1021/acs.jcim.5b00338 · External reference
10.1093/nar/gkt1031
10.1093/nar/gkt1031 · External reference
KNIME - the Konstanz information miner: version 2.0 and beyond
10.1145/1656274.1656280 · 2009 · External reference
10.1023/a:1007999920146
10.1023/a:1007999920146 · External reference
10.1016/j.bcp.2018.08.028
10.1016/j.bcp.2018.08.028 · External reference
Structure-based identification of OATP1B1/3 inhibitors
2013 · External reference
10.1038/nchembio.662
10.1038/nchembio.662 · External reference
Identification and characterization of human organic anion transporter 3 expressing predominantly in the kidney
10.1124/mol.59.5.1277 · 2001 · External reference
Comparative pharmacophore modeling of organic anion transporting polypeptides: a meta-analysis of rat Oatp1a1 and human OATP1B1
10.1124/jpet.104.082370 · 2005 · External reference
10.1039/c0sm01543a
10.1039/c0sm01543a · External reference
Discovery of competitive and noncompetitive ligands of the organic cation transporter 1 (OCT1; SLC22A1)
10.1021/acs.jmedchem.6b01317 · 2017 · External reference
10.1039/c6md00005c
10.1039/c6md00005c · External reference
10.1016/j.compbiolchem.2017.03.007
10.1016/j.compbiolchem.2017.03.007 · External reference
Predicting the functional consequences of non-synonymous single nucleotide polymorphisms in IL8 gene
10.1038/s41598-017-06575-4 · 2017 · External reference
10.1201/9781351113076
10.1201/9781351113076 · 2018 · External reference
Large scale free energy calculations for blind predictions of protein–ligand binding: the D3R grand challenge 2015
10.1007/s10822-016-9952-x · 2016 · External reference
Quantitative structure activity relationship for inhibition of human organic cation/carnitine transporter
10.1021/mp100226q · 2010 · External reference
Novel inhibitors of human organic cation/carnitine transporter (hOCTN2) via computational modeling and in vitro testing
10.1007/s11095-009-9905-3 · 2009 · External reference
10.1158/0008-5472.can-16-2548
10.1158/0008-5472.can-16-2548 · External reference
Fruit juices inhibit organic anion transporting polypeptide-mediated drug uptake to decrease the oral availability of fexofenadine
10.1067/mcp.2002.121152 · 2002 · External reference
Interaction of human organic anion transporters 2 and 4 with organic anion transport inhibitors
10.1124/jpet.301.3.797 · 2002 · External reference
10.1021/jm030209y
10.1021/jm030209y · External reference
Implicit membrane models for membrane protein simulation
10.1007/978-1-59745-177-2_10 · 2008 · External reference
10.1110/ps.9.9.1753
10.1110/ps.9.9.1753 · External reference
10.1093/bioinformatics/btg362
10.1093/bioinformatics/btg362 · External reference
Completion and refinement of 3-D homology models with restricted molecular dynamics: application to targets 47, 58, and 111 in the CASP modeling competition and posterior analysis
10.1002/prot.10105 · 2002 · External reference
10.1517/17460441.2015.1032936
10.1517/17460441.2015.1032936 · External reference
10.1111/j.1476-5381.2009.00568.x
10.1111/j.1476-5381.2009.00568.x · External reference
10.1089/dna.1997.16.871
10.1089/dna.1997.16.871 · External reference
10.1021/bi8008455
10.1021/bi8008455 · External reference
10.1016/s0959-440x(02)00306-8
10.1016/s0959-440x(02)00306-8 · External reference
10.1007/s10822-012-9556-z
10.1007/s10822-012-9556-z · External reference
Contribution of OATP2 (OATP1B1) and OATP8 (OATP1B3) to the hepatic uptake of pitavastatin in humans
10.1124/jpet.104.068056 · 2004 · External reference
10.1016/j.str.2007.06.004
10.1016/j.str.2007.06.004 · External reference
Molecular localization and characterization of multiple binding sites of organic anion transporting polypeptide 2B1 (OATP2B1) as the mechanism for substrate and modulator dependent drug–drug interaction
10.1039/c6md00235h · 2016 · External reference
Molecular cloning and functional expression of a multispecific organic anion transporter from human kidney
1999 · External reference
Recent advances in scaffold hopping: miniperspective
10.1021/acs.jmedchem.6b01437 · 2017 · External reference
10.1021/jm0608356
10.1021/jm0608356 · External reference
10.1007/s10822-008-9189-4
10.1007/s10822-008-9189-4 · External reference
10.1053/gast.2001.28704
10.1053/gast.2001.28704 · External reference
Modeling of loops in proteins: a multi-method approach
10.1186/1472-6807-10-5 · 2010 · External reference
10.1002/prot.25340
10.1002/prot.25340 · External reference
Principles, challenges and advances in ab initio protein structure prediction
10.2174/092986612803217015 · 2012 · External reference
10.1007/s00214-009-0656-3
10.1007/s00214-009-0656-3 · External reference
Comparability of mixed IC50 data – a statistical analysis
10.1371/journal.pone.0061007 · 2013 · External reference
in vitro and in silico strategies to identify OATP1B1 inhibitors and predict clinical drug–drug interactions
10.1007/s11095-011-0564-9 · 2012 · External reference
10.1021/jm300212s
10.1021/jm300212s · External reference
10.1016/j.drudis.2012.11.008
10.1016/j.drudis.2012.11.008 · External reference
10.1021/acs.jcim.6b00720
10.1021/acs.jcim.6b00720 · External reference
10.1021/jm2001629
10.1021/jm2001629 · External reference
10.1021/ar000033j
10.1021/ar000033j · External reference
Identification of novel inhibitors of organic anion transporting polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) using a consensus vote of six classification models
10.1021/acs.molpharmaceut.5b00583 · 2015 · External reference
The experimental uncertainty of heterogeneous public K(i) data
10.1021/jm300131x · 2012 · External reference
Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: four approaches that performed well in CASP8
10.1002/prot.22570 · 2009 · External reference
Applications of solid-state NMR to membrane proteins. Biochimica et Biophysica Acta (BBA) - proteins and proteomics
2017 · External reference
Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands
10.1016/s0026-895x(24)12106-2 · 2002 · External reference
Unresolved reference
2001 · External reference
Impact of experimental conditions on the evaluation of interactions between multidrug and toxin extrusion proteins and candidate drugs
10.1124/dmd.115.068163 · 2016 · External reference
Polymorphisms in human organic anion-transporting polypeptide 1A2 (OATP1A2): implications for altered drug disposition and central nervous system drug entry
10.1074/jbc.m411092200 · 2005 · External reference
10.1016/s0959-440x(96)80061-3
10.1016/s0959-440x(96)80061-3 · External reference
Identification of amino acids essential for Estrone-3-sulfate transport within transmembrane domain 2 of organic anion transporting polypeptide 1B1
10.1371/journal.pone.0036647 · 2012 · External reference
Identification of multiple binding sites for substrate transport in bovine organic anion transporting polypeptide 1a2
10.1124/dmd.112.047910 · 2013 · External reference
pGenTHREADER and pDomTHREADER: new methods for improved protein fold recognition and superfamily discrimination
10.1093/bioinformatics/btp302 · 2009 · External reference
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling
2015 · External reference
10.1124/mol.111.071282
10.1124/mol.111.071282 · External reference
Substrate-dependent inhibition of human MATE1 by cationic ionic liquids
10.1124/jpet.113.204206 · 2013 · External reference
10.1146/annurev.biophys.29.1.291
10.1146/annurev.biophys.29.1.291 · External reference
Identification and functional characterization of a new human kidney-specific H+/organic cation antiporter, kidney-specific multidrug and toxin extrusion 2
10.1681/asn.2006030205 · 2006 · External reference
10.1007/s00232-005-7004-x
10.1007/s00232-005-7004-x · External reference
Molecular modelling and drug design
10.1016/s0163-7258(99)00069-8 · 2000 · External reference
Pharmacophore modelling of stereoselective binding to the human organic cation transporter (hOCT1)
10.1038/sj.bjp.0707341 · 2007 · External reference
BCRP inhibition: from data collection to ligand-based modeling
10.1002/minf.201400012 · 2014 · External reference
Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning
2016 · External reference
10.1016/j.bbamem.2015.12.032
10.1016/j.bbamem.2015.12.032 · External reference
10.1038/clpt.2012.44
10.1038/clpt.2012.44 · External reference
Organic cation transporter OCTs (SLC22) and MATEs (SLC47) in the human kidney
10.1208/s12248-013-9465-7 · 2013 · External reference
PMF scoring revisited
10.1021/jm050038s · 2006 · External reference
Drug interactions with lipid-lowering drugs: mechanisms and clinical relevance
10.1016/j.clpt.2006.09.003 · 2006 · External reference
10.1110/ps.073263108
10.1110/ps.073263108 · External reference
Species difference in the inhibitory effect of nonsteroidal anti-inflammatory drugs on the uptake of methotrexate by human kidney slices
10.1124/jpet.107.121491 · 2007 · External reference
Membrane protein crystallisation: current trends and future perspectives
10.1007/978-3-319-35072-1_5 · 2016 · External reference
10.1093/nar/gkt1143
10.1093/nar/gkt1143 · External reference
10.1016/j.jmb.2010.09.045
10.1016/j.jmb.2010.09.045 · External reference
Classification Systems of Secondary Active Transporters
10.1016/j.tips.2016.11.008 · 2017 · External reference
10.1074/jbc.m608834200
10.1074/jbc.m608834200 · External reference
OCTN cation transporters in health and disease: role as drug targets and assay development
10.1177/1087057113493006 · 2013 · External reference
10.1093/bioinformatics/btq581
10.1093/bioinformatics/btq581 · External reference
10.1371/journal.pbio.1001651
10.1371/journal.pbio.1001651 · External reference
OATPs, OATs and OCTs: the organic anion and cation transporters of the SLCO and SLC22A gene superfamilies: OATPs, OATs and OCTs
10.1111/j.1476-5381.2011.01724.x · 2012 · External reference
10.1002/1873-3468.12706
10.1002/1873-3468.12706 · External reference
10.1006/jmbi.1993.1626
10.1006/jmbi.1993.1626 · External reference
Docking ligands onto binding site representations derived from proteins built by homology modelling11Edited by J. Thornton
10.1006/jmbi.2000.4453 · 2001 · External reference
Revolutionizing membrane protein overexpression in bacteria
10.1111/j.1751-7915.2009.00148.x · 2010 · External reference
Molecular modeling and ligand docking for solute carrier (SLC) transporters
10.2174/1568026611313070007 · 2013 · External reference
10.1002/cpt.1174
10.1002/cpt.1174 · External reference
10.1021/acs.jcim.6b00508
10.1021/acs.jcim.6b00508 · External reference
The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery
10.1124/dmd.111.042382 · 2012 · External reference
10.1016/j.str.2010.12.001
10.1016/j.str.2010.12.001 · External reference
High-throughputstructure-based pharmacophore modelling as a basis for successful parallel virtual screening
10.1007/s10822-006-9066-y · 2006 · External reference
10.1021/ja025304v
10.1021/ja025304v · External reference
Molecular determinants of substrate/inhibitor binding to the human and rabbit renal organic cation transporters hOCT2 and rbOCT2
10.1124/mol.104.004713 · 2005 · External reference
Engineering G protein-coupled receptors to facilitate their structure determination
10.1016/j.sbi.2009.07.004 · 2009 · External reference
Membrane transporters in drug development
10.1038/nrd3028 · 2010 · External reference
10.1007/s12013-011-9191-7
10.1007/s12013-011-9191-7 · External reference
Integrative data mining, scaffold analysis, and sequential binary classification models for exploring ligand profiles of hepatic organic anion transporting polypeptides
2018 · External reference
Generation of Bayesian prediction models for OATP-mediated drug–drug interactions based on inhibition screen of OATP1B1, OATP1B1∗15 and OATP1B3
10.1016/j.ejps.2015.01.004 · 2015 · External reference
Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
10.1039/c0md00165a · 2011 · External reference
3D-QSAR in drug design—a review
10.2174/156802610790232260 · 2010 · External reference
10.1016/j.jmb.2004.02.015
10.1016/j.jmb.2004.02.015 · External reference
Free energy methods in drug design: prospects of “alchemical perturbation” in medicinal chemistry
10.1021/acs.jmedchem.7b00681 · 2018 · External reference
Modeling side-chain conformation for homologous proteins using an energy-based rotamer search
10.1006/jmbi.1993.1100 · 1993 · External reference
Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE
10.1038/ncomms5521 · 2014 · External reference
10.1093/nar/gkx1037
10.1093/nar/gkx1037 · External reference
Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling
10.1021/jm301302s · 2013 · External reference
10.1517/17460441.2015.1078308
10.1517/17460441.2015.1078308 · External reference
cDNA sequence, transport function, and genomic organization of human OCTN2, a new member of the organic cation transporter family
10.1006/bbrc.1998.8669 · 1998 · External reference
10.1021/mp400423g
10.1021/mp400423g · External reference
Combinatorial pharmacophore modeling of multidrug and toxin extrusion transporter 1 inhibitors: a theoretical perspective for understanding multiple inhibitory mechanisms
10.1038/srep13684 · 2015 · External reference
10.1002/0471250953.bi0508s52
10.1002/0471250953.bi0508s52 · External reference
10.1016/j.drudis.2010.03.013
10.1016/j.drudis.2010.03.013 · External reference
Unresolved reference
2004 · External reference
Twelve transmembrane helices form the functional core of mammalian multidrug and toxin extruder 1 (MATE1)
2012 · External reference
10.1002/prot.20264
10.1002/prot.20264 · External reference
Substrate specificity of MATE1 and MATE2-K, human multidrug and toxin extrusions/H(+)-organic cation antiporters
10.1016/j.bcp.2007.04.010 · 2007 · External reference
Multi-level Analysis of Organic Anion Transporters 1, 3, and 6 Reveals Major Differences in Structural Determinants of Antiviral Discrimination
10.1074/jbc.m708615200 · 2008 · External reference
Application of an in vitro OAT assay in drug design and optimization of renal clearance
10.3109/00498254.2013.879625 · 2014 · External reference
Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1
10.1124/mol.63.3.489 · 2003 · External reference
Molecular determinants of substrate/inhibitor binding to the human and rabbit renal organic cation transporters hOCT2 and rbOCT2
10.1124/mol.104.004713 · 2005 · External reference
Amino Acid Residues in the Putative Transmembrane Domain 11 of Human Organic Anion Transporting Polypeptide 1B1 Dictate Transporter Substrate Binding, Stability, and Trafficking
10.1021/acs.molpharmaceut.5b00466 · 2015 · External reference
Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data
2013 · External reference
Impact of OATP transporters on pharmacokinetics
10.1111/j.1476-5381.2009.00430.x · 2009 · External reference
Organic Anion Transporting Polypeptides
10.1016/b978-0-12-800223-0.00005-0 · 2014 · External reference
Double-transfected MDCK cells expressing human OCT1/MATE1 or OCT2/MATE1: determinants of uptake and transcellular translocation of organic cations
10.1111/j.1476-5381.2010.01052.x · 2011 · External reference
10.1085/jgp.200910368
10.1085/jgp.200910368 · External reference
Identification of Motions in Membrane Proteins by Elastic Network Models and Their Experimental Validation
10.1007/978-1-62703-023-6_17 · 2012 · External reference
10.1016/j.compbiolchem.2017.03.007
10.1016/j.compbiolchem.2017.03.007 · External reference
I-TASSER server for protein 3D structure prediction
10.1186/1471-2105-9-40 · 2008 · External reference
Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides
2018 · External reference
