Access the full text.
Sign up today, get DeepDyve free for 14 days.
D. Parcej, R. Tampé (2010)
ABC proteins in antigen translocation and viral inhibition.Nature chemical biology, 6 8
Jonas Lee, Janet Yang, Daniel Zhitnitsky, Oded Lewinson, D. Rees (2014)
Structural Basis for Heavy Metal Detoxification by an Atm1-Type ABC ExporterScience, 343
K. Thai, G. Ecker (2008)
Classification Models for hERG Inhibitors by Counter‐Propagation Neural NetworksChemical Biology & Drug Design, 72
Kelvin Wong, Jerome Ma, A. Rothnie, P. Biggin, I. Kerr (2014)
Towards understanding promiscuity in multidrug efflux pumps.Trends in biochemical sciences, 39 1
T. Loo, D. Clarke (2001)
Defining the Drug-binding Site in the Human Multidrug Resistance P-glycoprotein Using a Methanethiosulfonate Analog of Verapamil, MTS-verapamil*The Journal of Biological Chemistry, 276
Yongmei Pan, Yanli Wang, S. Bryant (2013)
Pharmacophore and 3D-QSAR Characterization of 6-Arylquinazolin-4-amines as Cdc2-like Kinase 4 (Clk4) and Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (Dyrk1A) InhibitorsJournal of Chemical Information and Modeling, 53
T. Loo, M. Bartlett, D. Clarke (2005)
ATP hydrolysis promotes interactions between the extracellular ends of transmembrane segments 1 and 11 of human multidrug resistance P-glycoprotein.Biochemistry, 44 30
H. Choudhury, Zhen Tong, I. Mathavan, Yanyan Li, S. Iwata, S. Zirah, S. Rebuffat, H. Veen, K. Beis (2014)
Structure of an antibacterial peptide ATP-binding cassette transporter in a novel outward occluded stateProceedings of the National Academy of Sciences, 111
J. Wonderen, R. McMahon, M. O’Mara, C. McDevitt, A. Thomson, I. Kerr, F. MacMillan, R. Callaghan (2014)
The central cavity of ABCB1 undergoes alternating access during ATP hydrolysisThe FEBS Journal, 281
Po-Chao Wen, Brandy Verhalen, S. Wilkens, H. Mchaourab, E. Tajkhorshid (2013)
On the Origin of Large Flexibility of P-glycoprotein in the Inward-facing State*The Journal of Biological Chemistry, 288
Sabine Hadida, F. Goor, Jinglan Zhou, Vijayalaksmi Arumugam, Jason Mccartney, Anna Hazlewood, C. Decker, P. Negulescu, P. Grootenhuis (2014)
Discovery of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, ivacaftor), a potent and orally bioavailable CFTR potentiator.Journal of medicinal chemistry, 57 23
Lei Chen, Youyong Li, Huidong Yu, Liling Zhang, Tingjun Hou (2012)
Computational models for predicting substrates or inhibitors of P-glycoprotein.Drug discovery today, 17 7-8
Ryan Morgan, M. Trauner, C. Staden, Paul Lee, B. Ramachandran, M. Eschenberg, C. Afshari, C. Qualls, Ruth Lightfoot-Dunn, H. Hamadeh (2010)
Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.Toxicological sciences : an official journal of the Society of Toxicology, 118 2
Ricardo Ferreira, D. Santos, Maria-José Ferreira, R. Guedes (2011)
Toward a Better Pharmacophore Description of P-Glycoprotein Modulators, Based on Macrocyclic Diterpenes from Euphorbia SpeciesJournal of chemical information and modeling, 51 6
T. Loo, D. Clarke (2002)
Location of the Rhodamine-binding Site in the Human Multidrug Resistance P-glycoprotein*The Journal of Biological Chemistry, 277
R. Dawson, K. Locher (2007)
Structure of the multidrug ABC transporter Sav1866 from Staphylococcus aureus in complex with AMP‐PNPFEBS Letters, 581
A. Kodan, Tomohiro Yamaguchi, T. Nakatsu, Keita Sakiyama, Christopher Hipolito, A. Fujioka, R. Hirokane, K. Ikeguchi, Bunta Watanabe, J. Hiratake, Y. Kimura, H. Suga, K. Ueda, H. Kato (2014)
Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homologProceedings of the National Academy of Sciences, 111
M. Gottesman, I. Pastan (1993)
Biochemistry of multidrug resistance mediated by the multidrug transporter.Annual review of biochemistry, 62
T. Loo, D. Clarke (1999)
Identification of Residues in the Drug-binding Domain of Human P-glycoproteinThe Journal of Biological Chemistry, 274
M. Jin, M. Oldham, Qiu-ju Zhang, Jue Chen (2012)
Crystal structure of the multidrug transporter P-glycoprotein from C. elegansNature, 490
Jian Ma, Geraldine Grant, Peter Melera (1997)
Mutations in the sixth transmembrane domain of P-glycoprotein that alter the pattern of cross-resistance also alter sensitivity to cyclosporin A reversal.Molecular pharmacology, 51 6
A. Ward, P. Szewczyk, Vinciane Grimard, Chang-wook Lee, Lorena Martínez, R. Doshi, Alexandra Caya, Mark Villaluz, E. Pardon, Cristina Cregger, D. Swartz, P. Falson, I. Urbatsch, C. Govaerts, J. Steyaert, G. Chang (2013)
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domainProceedings of the National Academy of Sciences, 110
Akina Tamaki, C. Ieranò, G. Szakács, R. Robey, S. Bates (2011)
The controversial role of ABC transporters in clinical oncology.Essays in biochemistry, 50 1
T. Loo, M. Bartlett, D. Clarke (2006)
Transmembrane segment 1 of human P-glycoprotein contributes to the drug-binding pocket.The Biochemical journal, 396 3
T. Loo, D. Clarke (2005)
Do drug substrates enter the common drug-binding pocket of P-glycoprotein through "gates"?Biochemical and biophysical research communications, 329 2
T. Loo, D. Clarke (2002)
Vanadate trapping of nucleotide at the ATP-binding sites of human multidrug resistance P-glycoprotein exposes different residues to the drug-binding siteProceedings of the National Academy of Sciences of the United States of America, 99
R. Dawson, K. Locher (2006)
Structure of a bacterial multidrug ABC transporterNature, 443
Vasanthanathan Poongavanam, N. Haider, G. Ecker (2012)
Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitorsBioorganic & Medicinal Chemistry, 20
T. Loo, D. Clarke (1996)
Inhibition of Oxidative Cross-linking between Engineered Cysteine Residues at Positions 332 in Predicted Transmembrane Segments (TM) 6 and 975 in Predicted TM12 of Human P-glycoprotein by Drug Substrates*The Journal of Biological Chemistry, 271
H. Nakagawa, Y. Toyoda, Kanako Wakabayashi-Nakao, Hideaki Tamaki, M. Osumi, T. Ishikawa (2011)
Ubiquitin-mediated proteasomal degradation of ABC transporters: a new aspect of genetic polymorphisms and clinical impacts.Journal of pharmaceutical sciences, 100 9
O. Jardetzky (1966)
Simple Allosteric Model for Membrane PumpsNature, 211
T. Loo, D. Clarke (2000)
Identification of Residues within the Drug-binding Domain of the Human Multidrug Resistance P-glycoprotein by Cysteine-scanning Mutagenesis and Reaction with Dibromobimane*The Journal of Biological Chemistry, 275
T. Loo, M. Bartlett, D. Clarke (2004)
Val133 and Cys137 in Transmembrane Segment 2 Are Close to Arg935 and Gly939 in Transmembrane Segment 11 of Human P-glycoprotein*Journal of Biological Chemistry, 279
T. Loo, D. Clarke (1997)
Identification of Residues in the Drug-binding Site of Human P-glycoprotein Using a Thiol-reactive Substrate*The Journal of Biological Chemistry, 272
K. Hollenstein, R. Dawson, K. Locher (2007)
Structure and mechanism of ABC transporter proteins.Current opinion in structural biology, 17 4
S. Childs, Richard Yeh, E. Georges, V. Ling (1995)
Identification of a sister gene to P-glycoprotein.Cancer research, 55 10
C. Shintre, A. Pike, Qiuhong Li, Jung-In Kim, A. Barr, S. Goubin, L. Shrestha, Jing Yang, G. Berridge, Jonathan Ross, P. Stansfeld, M. Sansom, A. Edwards, C. Bountra, B. Marsden, F. Delft, A. Bullock, O. Gileadi, N. Burgess-Brown, E. Carpenter (2013)
Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound statesProceedings of the National Academy of Sciences, 110
F. Montanari, G. Ecker (2015)
Prediction of drug–ABC-transporter interaction — Recent advances and future challenges☆Advanced drug delivery reviews, 86
E. Chufán, Hong‐May Sim, S. Ambudkar (2015)
Molecular basis of the polyspecificity of P-glycoprotein (ABCB1): recent biochemical and structural studies.Advances in cancer research, 125
Sarah Dawson, S. Stahl, N. Paul, J. Barber, J. Kenna (2012)
In Vitro Inhibition of the Bile Salt Export Pump Correlates with Risk of Cholestatic Drug-Induced Liver Injury in HumansDrug Metabolism and Disposition, 40
M. Al-Shawi (2011)
Catalytic and transport cycles of ABC exporters.Essays in biochemistry, 50 1
Michael Peer, E. Csaszar, Elisabeth Vorlaufer, S. Kopp, P. Chiba (2005)
Photoaffinity labeling of P-glycoprotein.Mini reviews in medicinal chemistry, 5 2
V. Srinivasan, A. Pierik, R. Lill (2014)
Crystal Structures of Nucleotide-Free and Glutathione-Bound Mitochondrial ABC Transporter Atm1Science, 343
Jingzhi Li, K. Jaimes, S. Aller (2013)
Refined structures of mouse P-glycoproteinProtein Science : A Publication of the Protein Society, 23
T. Loo, M. Bartlett, D. Clarke (2007)
Suppressor Mutations in the Transmembrane Segments of P-glycoprotein Promote Maturation of Processing Mutants and Disrupt a Subset of Drug-binding Sites*Journal of Biological Chemistry, 282
E. Wang, C. Casciano, R. Clement, W. Johnson (2001)
Evaluation of the interaction of loratadine and desloratadine with P-glycoprotein.Drug metabolism and disposition: the biological fate of chemicals, 29 8
T. Loo, M. Bartlett, D. Clarke (2003)
Permanent Activation of the Human P-glycoprotein by Covalent Modification of a Residue in the Drug-binding Site*Journal of Biological Chemistry, 278
A. Palmeira, F. Rodrigues, E. Sousa, M. Pinto, M. Vasconcelos, M. Fernandes (2011)
New Uses for Old Drugs: Pharmacophore‐Based Screening for the Discovery of P‐Glycoprotein InhibitorsChemical Biology & Drug Design, 78
R. Shoemaker (2006)
The NCI60 human tumour cell line anticancer drug screenNature Reviews Cancer, 6
Adam Shapiro, Victor Ling (1997)
Positively cooperative sites for drug transport by P-glycoprotein with distinct drug specificities.European journal of biochemistry, 250 1
P. Chiba, M. Freissmuth, T. Stockner (2014)
Defining the blanks – Pharmacochaperoning of SLC6 transporters and ABC transporters?Pharmacological Research, 83
Joerg Cramer, S. Kopp, S. Bates, P. Chiba, G. Ecker (2007)
Multispecificity of Drug Transporters: Probing Inhibitor Selectivity for the Human Drug Efflux Transporters ABCB1 and ABCG2ChemMedChem, 2
A. Rothnie, J. Storm, Jeff Campbell, K. Linton, I. Kerr, R. Callaghan (2004)
The Topography of Transmembrane Segment Six Is Altered during the Catalytic Cycle of P-glycoprotein*Journal of Biological Chemistry, 279
T. Ritschel, Susanne Hermans, M. Schreurs, J. Heuvel, J. Koenderink, R. Greupink, F. Russel (2014)
In silico identification and in vitro validation of potential cholestatic compounds through 3D ligand-based pharmacophore modeling of BSEP inhibitors.Chemical research in toxicology, 27 5
Karin Pleban, D. Kaiser, Stefan Kopp, Michael Peer, P. Chiba, G. Ecker (2005)
Targeting drug-efflux pumps -- a pharmacoinformatic approach.Acta biochimica Polonica, 52 3
E. Rudashevskaya, T. Stockner, M. Trauner, M. Freissmuth, P. Chiba (2014)
Pharmacological correction of misfolding of ABC proteins☆Drug Discovery Today. Technologies, 12
Z. Parveen, T. Stockner, Caterina Bentele, S. Pferschy, M. Kraupp, M. Freissmuth, G. Ecker, P. Chiba (2011)
Molecular Dissection of Dual Pseudosymmetric Solute Translocation Pathways in Human P-GlycoproteinMolecular Pharmacology, 79
G. Szakács, M. Hall, M. Gottesman, A. Boumendjel, R. Kachadourian, B. Day, H. Baubichon-Cortay, A. Pietro (2014)
Targeting the Achilles Heel of Multidrug-Resistant Cancer by Exploiting the Fitness Cost of ResistanceChemical Reviews, 114
F. Klepsch, P. Vasanthanathan, G. Ecker (2013)
Ligand and Structure-Based Classification Models for Prediction of P-Glycoprotein InhibitorsJournal of Chemical Information and Modeling, 54
D. Gutmann, A. Ward, I. Urbatsch, G. Chang, H. Veen (2010)
Understanding polyspecificity of multidrug ABC transporters: closing in on the gaps in ABCB1.Trends in biochemical sciences, 35 1
Barbara Zdrazil, M. Pinto, P. Vasanthanathan, Antony Williams, Linda Balderud, O. Engkvist, C. Chichester, A. Hersey, John Overington, G. Ecker (2012)
Annotating Human P-Glycoprotein Bioassay DataMolecular Informatics, 31
S. Aller, Jodie Yu, A. Ward, Yue Weng, S. Chittaboina, R. Zhuo, P. Harrell, Yenphuong Trinh, Qinghai Zhang, I. Urbatsch, G. Chang (2009)
Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug BindingScience, 323
R. Schwaha, G. Ecker (2011)
Use of shape similarities for the classification of P-glycoprotein substrates and nonsubstrates.Future medicinal chemistry, 3 9
E. Gonzales, B. Grosse, D. Cassio, A. Davit-Spraul, M. Fabre, E. Jacquemin (2012)
Successful mutation-specific chaperone therapy with 4-phenylbutyrate in a child with progressive familial intrahepatic cholestasis type 2.Journal of hepatology, 57 3
K. Giacomini, Shiew-Mei Huang, D. Tweedie, L. Benet, K. Brouwer, X. Chu, A. Dahlin, R. Evers, V. Fischer, K. Hillgren, K. Hoffmaster, T. Ishikawa, D. Keppler, R. Kim, Caroline Lee, M. Niemi, J. Polli, Y. Sugiyama, P. Swaan, J. Ware, S. Wright, S. Yee, M. Zamek-Gliszczynski, Lei Zhang (2010)
Membrane transporters in drug developmentNature Reviews Drug Discovery, 9
H. Veen, A. Margolles, Michael Müller, C. Higgins, W. Konings (2000)
The homodimeric ATP‐binding cassette transporter LmrA mediates multidrug transport by an alternating two‐site (two‐cylinder engine) mechanismThe EMBO Journal, 19
Ishrat Jabeen, Karin Pleban, U. Rinner, P. Chiba, G. Ecker (2012)
Structure–Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-GlycoproteinJournal of Medicinal Chemistry, 55
Y. Honjo, S. Sasaki, Yoshimasa Kobayashi, Hiroko Misawa, Hirotoshi Nakamura (2006)
1,25-dihydroxyvitamin D3 and its receptor inhibit the chenodeoxycholic acid-dependent transactivation by farnesoid X receptor.The Journal of endocrinology, 188 3
F. Klepsch, P. Chiba, G. Ecker (2011)
Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-GlycoproteinPLoS Computational Biology, 7
Daria Goldmann, F. Montanari, L. Richter, Barbara Zdrazil, G. Ecker (2014)
Exploiting open data: a new era in pharmacoinformatics.Future medicinal chemistry, 6 5
M. Hohl, C. Briand, M. Grütter, M. Seeger (2012)
Crystal structure of a heterodimeric ABC transporter in its inward-facing conformationNature Structural &Molecular Biology, 19
S. Rottenberg, A. Nygren, M. Pajic, F. Leeuwen, Ingrid Heijden, K. Wetering, Xiaoling Liu, K. Visser, K. Gilhuijs, O. Tellingen, J. Schouten, J. Jonkers, P. Borst (2007)
Selective induction of chemotherapy resistance of mammary tumors in a conditional mouse model for hereditary breast cancerProceedings of the National Academy of Sciences, 104
E. Gonzales, B. Grosse, Brice Schuller, A. Davit-Spraul, F. Conti, C. Guettier, D. Cassio, E. Jacquemin (2015)
Targeted pharmacotherapy in progressive familial intrahepatic cholestasis type 2: Evidence for improvement of cholestasis with 4‐phenylbutyrateHepatology, 62
T. Loo, M. Bartlett, D. Clarke (2004)
The drug-binding pocket of the human multidrug resistance P-glycoprotein is accessible to the aqueous medium.Biochemistry, 43 38
E. Chufán, K. Kapoor, Hong‐May Sim, Satyakam Singh, T. Talele, S. Durell, S. Ambudkar (2013)
Multiple Transport-Active Binding Sites Are Available for a Single Substrate on Human P-Glycoprotein (ABCB1)PLoS ONE, 8
F. Sharom (2014)
Complex Interplay between the P-Glycoprotein Multidrug Efflux Pump and the Membrane: Its Role in Modulating Protein FunctionFrontiers in Oncology, 4
T. Gerloff, B. Stieger, B. Hagenbuch, J. Madon, L. Landmann, J. Roth, A. Hofmann, P. Meier (1998)
The Sister of P-glycoprotein Represents the Canalicular Bile Salt Export Pump of Mammalian Liver*The Journal of Biological Chemistry, 273
I. Kerr, Peter Jones, A. George (2010)
Multidrug efflux pumps: The structures of prokaryotic ATP‐binding cassette transporter efflux pumps and implications for our understanding of eukaryotic P‐glycoproteins and homologuesThe FEBS Journal, 277
S. Schultz, David Smith, J. Mock, David Schultz (2000)
Single-target molecule detection with nonbleaching multicolor optical immunolabels.Proceedings of the National Academy of Sciences of the United States of America, 97 3
Jungmin Kim, Shenping Wu, T. Tomasiak, Claudia Mergel, Michael Winter, Sebastian Stiller, Yaneth Robles-Colmanares, R. Stroud, R. Tampé, C. Craik, Yifan Cheng (2014)
Subnanometre-resolution electron cryomicroscopy structure of a heterodimeric ABC exporterNature, 517
Takashi Misawa, Hisamitsu Hayashi, Y. Sugiyama, Y. Hashimoto (2012)
Discovery and structural development of small molecules that enhance transport activity of bile salt export pump mutant associated with progressive familial intrahepatic cholestasis type 2.Bioorganic & medicinal chemistry, 20 9
K. Linton, Joseph Zolnerciks, L. Schmitt (2011)
General Introduction, Structure and Likely Mechanism of Action of ABC Transport Proteins
Lisa Bain, J. McLachlan, G. LeBlanc (1997)
Structure-activity relationships for xenobiotic transport substrates and inhibitory ligands of P-glycoprotein.Environmental Health Perspectives, 105
A. Ward, C. Reyes, Jodie Yu, Christopher Roth, G. Chang (2007)
Flexibility in the ABC transporter MsbA: Alternating access with a twistProceedings of the National Academy of Sciences, 104
T. Loo, M. Bartlett, D. Clarke (2009)
Identification of Residues in the Drug Translocation Pathway of the Human Multidrug Resistance P-glycoprotein by Arginine Mutagenesis*The Journal of Biological Chemistry, 284
[ATP-binding cassette (ABC) proteins are causally related to the etiology of more than 25 human diseases. Selected members of the protein family play a role in drug disposition, drug resistance, and disease progression. The capability of ABC proteins to interact with small molecules has been well documented. An understanding of the mode of interaction of ABC proteins with drugs is an important aim for molecular and clinical pharmacology. The interaction of ABC proteins with drugs or drug candidates has been studied by structure-based and ligand-based approaches. In rare instances, a combination of both approaches has been attempted. Structure-based techniques rely on the availability of structural models of target ABC proteins at atomic resolution. Ligand-based studies infer information about drug-binding sites by complementarity between shape and properties of ligands on the one hand and binding sites on the other hand. These techniques are expected to lead to the identification of drug candidates for the treatment of those diseases, which are associated with ABC protein malfunction, but presently are not amenable to pharmacotherapy.]
Published: Dec 17, 2015
Keywords: Electron Paramagnetic Resonance; Cystic Fibrosis Transmembrane Conductance Regulator; Pharmacophore Model; Multidrug Transporter; Bile Salt Export Pump
Read and print from thousands of top scholarly journals.
Already have an account? Log in
Bookmark this article. You can see your Bookmarks on your DeepDyve Library.
To save an article, log in first, or sign up for a DeepDyve account if you don’t already have one.
Copy and paste the desired citation format or use the link below to download a file formatted for EndNote
Access the full text.
Sign up today, get DeepDyve free for 14 days.
All DeepDyve websites use cookies to improve your online experience. They were placed on your computer when you launched this website. You can change your cookie settings through your browser.