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Showing 1–10 of 10 results
Advanced filters: Author: Julian Marschner Clear advanced filters
  • Chemical language models are deep learning models trained with molecules in string representation. They enable data-driven de novo design of molecules with tailored features. Here, the authors used chemical language models to design multi-target ligands.

    • Laura Isigkeit
    • Tim Hörmann
    • Daniel Merk
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-14
  • In this work, the authors compile a chemogenomics library for NR1 nuclear hormone receptors to advance studies on unexplored therapeutic potential of these transcription factors. Its application in phenotypic settings revealed NR1 involvement in autophagy.

    • Laura Isigkeit
    • Espen Schallmayer
    • Daniel Merk
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-13
  • Necroptosis, a form of cell death, occurs in acute renal injury. Here, the authors show that ferroptosis—a form of cell death dependent on iron - also occurs during acute kidney injury, and show that an inhibitor of ferroptosis can improve survival in a mouse model of acute kidney damage.

    • Wulf Tonnus
    • Claudia Meyer
    • Andreas Linkermann
    ResearchOpen Access
    Nature Communications
    Volume: 12, P: 1-14
  • The recovery of function upon acute kidney injury is thought to involve tubular cell dedifferentiation and proliferation. Here the authors show that Pax2+ progenitors regenerate tubules via cell division while other tubular cells support function recovery by undergoing hypertrophy through endoreplication.

    • Elena Lazzeri
    • Maria Lucia Angelotti
    • Paola Romagnani
    ResearchOpen Access
    Nature Communications
    Volume: 9, P: 1-18
  • Nuclear receptor related 1 (Nurr1) is a promising target for neuroprotection in diseases like Parkinson’s and Alzheimer’s, yet its activation mechanism by synthetic ligands remains unclear. Here, the authors elucidate Nurr1’s activation by vidofludimus, revealing its allosteric binding site and developing a more potent Nurr1 agonist, advancing rational drug design.

    • Úrsula López-García
    • Jan Vietor
    • Daniel Merk
    ResearchOpen Access
    Communications Chemistry
    Volume: 8, P: 1-11
  • Human NR3 nuclear receptors translate steroid hormone signals in transcriptomic responses and serve as invaluable drug targets, however, their therapeutic potential remains underexplored. Here, the authors report a chemogenomics library of NR3 ligands to reveal elusive effects of NR3 receptor modulation in phenotypic settings, revealing potential NR3-mediated effects in endoplasmic reticulum stress and providing proof-of-concept for its suitability to correlate phenotypic outcomes with molecular targets.

    • Espen Schallmayer
    • Laura Isigkeit
    • Daniel Merk
    ResearchOpen Access
    Communications Chemistry
    Volume: 8, P: 1-11
  • Nuclear receptor-related 1 (Nurr1) is a promising candidate target for neurodegenerative disease treatment, however, the validation of their therapeutic potential remains underexplored due to a lack of high-quality chemical tools. Here, the authors develop Nurr1 agonists from amodiaquine by scaffold hopping and fragment growing, exhibiting nanomolar potency and efficient cellular target engagement, showing their potential as lead and chemical tools.

    • Minh Sai
    • Emily C. Hank
    • Daniel Merk
    ResearchOpen Access
    Communications Chemistry
    Volume: 7, P: 1-13