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Development of an assay pipeline for the discovery of novel small molecule inhibitors of human glutathione peroxidases GPX1 and GPX4.
Cheff, Dorian M; Cheng, Qing; Guo, Hui; Travers, Jameson; Klumpp-Thomas, Carleen; Shen, Min; Arnér, Elias S J; Hall, Matthew D.
Afiliación
  • Cheff DM; Early Translation Branch, National Center for Advancing Translational Sciences, National Institute of Health, 9800 Medical Center Drive, Rockville, MD, 20850, United States; Division of Biochemistry, Department of Medical Biochemistry and Biophysics, Karolinska Institutet, SE, 171 77, Stockholm, Swe
  • Cheng Q; Division of Biochemistry, Department of Medical Biochemistry and Biophysics, Karolinska Institutet, SE, 171 77, Stockholm, Sweden.
  • Guo H; Early Translation Branch, National Center for Advancing Translational Sciences, National Institute of Health, 9800 Medical Center Drive, Rockville, MD, 20850, United States.
  • Travers J; Early Translation Branch, National Center for Advancing Translational Sciences, National Institute of Health, 9800 Medical Center Drive, Rockville, MD, 20850, United States.
  • Klumpp-Thomas C; Early Translation Branch, National Center for Advancing Translational Sciences, National Institute of Health, 9800 Medical Center Drive, Rockville, MD, 20850, United States.
  • Shen M; Early Translation Branch, National Center for Advancing Translational Sciences, National Institute of Health, 9800 Medical Center Drive, Rockville, MD, 20850, United States.
  • Arnér ESJ; Division of Biochemistry, Department of Medical Biochemistry and Biophysics, Karolinska Institutet, SE, 171 77, Stockholm, Sweden; Department of Selenoprotein Research and the National Tumor Biology Laboratory, National Institute of Oncology, Budapest, Hungary. Electronic address: elias.arner@ki.se.
  • Hall MD; Early Translation Branch, National Center for Advancing Translational Sciences, National Institute of Health, 9800 Medical Center Drive, Rockville, MD, 20850, United States. Electronic address: hallma@mail.nih.gov.
Redox Biol ; 63: 102719, 2023 07.
Article en En | MEDLINE | ID: mdl-37244126
Selenoprotein glutathione peroxidases (GPX), like ubiquitously expressed GPX1 and the ferroptosis modulator GPX4, enact antioxidant activities by reducing hydroperoxides using glutathione. Overexpression of these enzymes is common in cancer and can be associated with the development of resistance to chemotherapy. GPX1 and GPX4 inhibitors have thus shown promise as anti-cancer agents, and targeting other GPX isoforms may prove equally beneficial. Existing inhibitors are often promiscuous, or modulate GPXs only indirectly, so novel direct inhibitors identified through screening against GPX1 and GPX4 could be valuable. Here, we developed optimized glutathione reductase (GR)-coupled GPX assays for the biochemical high-throughput screen (HTS) of almost 12,000 compounds with proposed mechanisms of action. Initial hits were triaged using a GR counter-screen, assessed for isoform specificity against an additional GPX isoform, GPX2, and were assessed for general selenocysteine-targeting activity using a thioredoxin reductase (TXNRD1) assay. Importantly, 70% of the GPX1 inhibitors identified in the primary screen, including several cephalosporin antibiotics, were found to also inhibit TXNRD1, while auranofin, previously known as a TXNRD1 inhibitor, also inhibited GPX1 (but not GPX4). Additionally, every GPX1 inhibitor identified (including omapatrilat, tenatoprazole, cefoxitin and ceftibuten) showed similar inhibitory activity against GPX2. Some compounds inhibiting GPX4 but not GPX1 or GPX2, also inhibited TXNRD1 (26%). Compounds only inhibiting GPX4 included pranlukast sodium hydrate, lusutrombopag, brilanestrant, simeprevir, grazoprevir (MK-5172), paritaprevir, navitoclax, venetoclax and VU0661013. Two compounds (metamizole sodium and isoniazid sodium methanesulfate) inhibited all three GPXs but not TXNRD1, while 2,3-dimercaptopropanesulfonate, PI4KIII beta inhibitor 3, SCE-2174 and cefotetan sodium inhibited all tested selenoproteins (but not GR). The detected overlaps in chemical space suggest that the counter screens introduced here should be imperative for identification of specific GPX inhibitors. With this approach, we could indeed identify novel GPX1/GPX2- or GPX4-specific inhibitors, thus presenting a validated pipeline for future identification of specific selenoprotein-targeting agents. Our study also identified GPX1/GPX2, GPX4 and/or TXNRD1 as targets for several previously developed pharmacologically active compounds.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Glutatión Peroxidasa GPX1 / Neoplasias Límite: Humans Idioma: En Revista: Redox Biol Año: 2023 Tipo del documento: Article Pais de publicación: Países Bajos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Glutatión Peroxidasa GPX1 / Neoplasias Límite: Humans Idioma: En Revista: Redox Biol Año: 2023 Tipo del documento: Article Pais de publicación: Países Bajos