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ACS Publications. Most Trusted. Most Cited. Most Read
Direct Automated MALDI Mass Spectrometry Analysis of Cellular Transporter Function: Inhibition of OATP2B1 Uptake by 294 Drugs
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    Article

    Direct Automated MALDI Mass Spectrometry Analysis of Cellular Transporter Function: Inhibition of OATP2B1 Uptake by 294 Drugs
    Click to copy article linkArticle link copied!

    • Melissa S. Unger
      Melissa S. Unger
      Center for Mass Spectrometry and Optical Spectroscopy (CeMOS), Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany
      Institute of Medical Technology, Heidelberg University and Mannheim University of Applied Sciences, Theodor-Kutzer-Ufer 1-3, 68167 Mannheim, Germany
      Cellzome - a GlaxoSmithKline company, Meyerhofstr. 1, 69177 Heidelberg, Germany
    • Lena Schumacher
      Lena Schumacher
      Center for Mass Spectrometry and Optical Spectroscopy (CeMOS), Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany
    • Thomas Enzlein
      Thomas Enzlein
      Center for Mass Spectrometry and Optical Spectroscopy (CeMOS), Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany
    • David Weigt
      David Weigt
      Center for Mass Spectrometry and Optical Spectroscopy (CeMOS), Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany
      More by David Weigt
    • Maciej J. Zamek-Gliszczynski
      Maciej J. Zamek-Gliszczynski
      Drug Metabolism and Pharmacokinetics, GlaxoSmithKline, 1250 S Collegeville Road, Collegeville, Pennsylvania 19426, United States
    • Matthias Schwab
      Matthias Schwab
      Dr. Margarete Fischer-Bosch-Institute for Clinical Pharmacology, Auerbachstr. 112, 70376 Stuttgart, Germany
      Cluster of Excellence iFIT (EXC2180) “Image-Guided and Functionally Instructed Tumor Therapies”, University of Tuebingen, 72076 Tuebingen, Germany
      Departments of Clinical Pharmacology, Pharmacy and Biochemistry, University of Tuebingen, Auf der Morgenstelle 8, 72076 Tübingen, Germany
    • Anne T. Nies
      Anne T. Nies
      Dr. Margarete Fischer-Bosch-Institute for Clinical Pharmacology, Auerbachstr. 112, 70376 Stuttgart, Germany
      Cluster of Excellence iFIT (EXC2180) “Image-Guided and Functionally Instructed Tumor Therapies”, University of Tuebingen, 72076 Tuebingen, Germany
      More by Anne T. Nies
    • Gerard Drewes
      Gerard Drewes
      Cellzome - a GlaxoSmithKline company, Meyerhofstr. 1, 69177 Heidelberg, Germany
    • Sandra Schulz
      Sandra Schulz
      Center for Mass Spectrometry and Optical Spectroscopy (CeMOS), Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany
    • Friedrich B. M. Reinhard
      Friedrich B. M. Reinhard
      Cellzome - a GlaxoSmithKline company, Meyerhofstr. 1, 69177 Heidelberg, Germany
    • Carsten Hopf*
      Carsten Hopf
      Center for Mass Spectrometry and Optical Spectroscopy (CeMOS), Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany
      Institute of Medical Technology, Heidelberg University and Mannheim University of Applied Sciences, Theodor-Kutzer-Ufer 1-3, 68167 Mannheim, Germany
      *Email: [email protected]; Phone: +49 (0)621/292-6802; Mailing Address: Prof. Dr. Carsten Hopf, Mannheim University of Applied Sciences, Paul-Wittsack Str. 10, 68163 Mannheim, Germany.
      More by Carsten Hopf
    Other Access OptionsSupporting Information (1)

    Analytical Chemistry

    Cite this: Anal. Chem. 2020, 92, 17, 11851–11859
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    https://doi.org/10.1021/acs.analchem.0c02186
    Published July 28, 2020
    Copyright © 2020 American Chemical Society

    Abstract

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    Abstract Image

    OATP2B1, a member of the solute carrier (SLC) transporter family, is an important mechanism of substrate drug uptake in the intestine and liver and therefore a determinant of clinical pharmacokinetics and site of drug–drug interactions. Other SLC transporters have emerged as pharmacology targets. Studies of SLC transporter uptake to-date relied on radioisotope- or fluorescence-labeled reagents or low-throughput quantification of unlabeled compounds in cell lysate. In this study, we developed a cell-based MALDI MS workflow for investigation of OATP2B1 cellular uptake by optimizing the substrate, matrix, matrix–analyte ratio, and matrix application and normalization method. This workflow was automated and applied to characterize substrate transport kinetics and to test 294 top-marketed drugs for OATP2B1 inhibition and quantify inhibitory potencies necessary for extrapolation of clinical drug–drug interaction potential. Intra-assay reproducibility of this MALDI MS method was high (CV < 10%), and results agreed well (83% overlap) with previously published radioisotope assay data. Our results indicate that fast and robust MALDI MS cellular assays could emerge as a high-throughput label-free alternative for direct assessment of drug transporter function in DDIs and toxicities as well as enable drug discovery for transporters as pharmacology targets.

    Copyright © 2020 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.analchem.0c02186.

    • Experimental setup, optimization of matrix solvents for DHAP and Ph-CCA-NH2, evaluation of the best cell number per spot, evaluation of the matrix suppression effect, comparison of automated and nonautomated assays, relationship of E3S intensity and concentration, overlap of MALDI and Karlgren data, autofluorescence and quenching results (PDF)

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    Cited By

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    This article is cited by 9 publications.

    1. Stefan Schmidt, Alexander Geisel, Thomas Enzlein, Björn C. Fröhlich, Louise Pritchett, Melanie Verneret, Christian Graf, Carsten Hopf. Label-free assessment of complement-dependent cytotoxicity of therapeutic antibodies via a whole-cell MALDI mass spectrometry bioassay. Scientific Reports 2024, 14 (1) https://doi.org/10.1038/s41598-024-71483-3
    2. Stefan Schmidt, Alexander Geisel, Thomas Enzlein, Björn C. Fröhlich, Louise Pritchett, Melanie Verneret, Christian Graf, Carsten Hopf. Label-free Assessment of Complement-Dependent Cytotoxicity of Therapeutic Antibodies via a Whole-Cell MALDI Mass Spectrometry Bioassay. 2024https://doi.org/10.1101/2024.05.03.592336
    3. Melanie A. Felmlee, Michael Ng, Annie Lee. Expression and Pharmaceutical Relevance of Intestinal Transporters. 2023, 339-360. https://doi.org/10.1002/9781119660699.ch18
    4. Sergei Dikler. Accelerating Drug Discovery with Ultrahigh‐Throughput MALDI‐TOF MS. 2023, 393-421. https://doi.org/10.1002/9781119678496.ch12
    5. Martin Winter, Roman P. Simon, Tim T. Häbe, Robert Ries, Yuting Wang, David Kvaskoff, Amaury Fernández-Montalván, Andreas H. Luippold, Frank H. Büttner, Wolfgang Reindl. Label-free high-throughput screening via acoustic ejection mass spectrometry put into practice. SLAS Discovery 2023, 28 (5) , 240-246. https://doi.org/10.1016/j.slasd.2023.04.001
    6. Maria Emilia Dueñas, Rachel E Peltier‐Heap, Melanie Leveridge, Roland S Annan, Frank H Büttner, Matthias Trost. Advances in high‐throughput mass spectrometry in drug discovery. EMBO Molecular Medicine 2023, 15 (1) https://doi.org/10.15252/emmm.202114850
    7. Martin Winter, Roman P. Simon, Yuting Wang, Tom Bretschneider, Margit Bauer, Aniket Magarkar, Wolfgang Reindl, Amaury Fernández-Montalván, Florian Montel, Frank H. Büttner. Differential analyte derivatization enables unbiased MALDI-TOF-based high-throughput screening: A proof-of-concept study for the discovery of catechol-o-methyltransferase inhibitors. SLAS Discovery 2022, 27 (5) , 287-297. https://doi.org/10.1016/j.slasd.2022.05.002
    8. Melissa S. Unger, Martina Blank, Thomas Enzlein, Carsten Hopf. Label-free cell assays to determine compound uptake or drug action using MALDI-TOF mass spectrometry. Nature Protocols 2021, 16 (12) , 5533-5558. https://doi.org/10.1038/s41596-021-00624-z
    9. Roman P. Simon, Tim T. Häbe, Robert Ries, Martin Winter, Yuting Wang, Amaury Fernández-Montalván, Daniel Bischoff, Frank Runge, Wolfgang Reindl, Andreas H. Luippold, Frank H. Büttner. Acoustic Ejection Mass Spectrometry: A Fully Automatable Technology for High-Throughput Screening in Drug Discovery. SLAS Discovery 2021, 26 (8) , 961-973. https://doi.org/10.1177/24725552211028135
    10. Carina RamalloGuevara, Dorothea Paulssen, Anna A. Popova, Carsten Hopf, Pavel A. Levkin. Fast Nanoliter‐Scale Cell Assays Using Droplet Microarray–Mass Spectrometry Imaging. Advanced Biology 2021, 5 (3) https://doi.org/10.1002/adbi.202000279

    Analytical Chemistry

    Cite this: Anal. Chem. 2020, 92, 17, 11851–11859
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.analchem.0c02186
    Published July 28, 2020
    Copyright © 2020 American Chemical Society

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