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AtomNet-Aided OTUD7B Inhibitor Discovery and Validation.

Jianfeng Chen1,2, Derek L Bolhuis1,2, Christian Laggner3

  • 1Lineberger Comprehensive Cancer Center, The University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA.

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Summary

Researchers identified a novel small molecule inhibitor (7Bi) targeting OTUD7B, a protein involved in cancer. This inhibitor shows promise for treating cancers like NSCLC and leukemia by reducing key signaling pathways.

Keywords:
NSCLCOTUD7Bcell proliferationleukemiasmall molecule inhibitor

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Area of Science:

  • Biochemistry
  • Molecular Biology
  • Oncology

Background:

  • Protein deubiquitinases are crucial in cancer pathophysiology.
  • OTUD7B has an oncogenic role in non-small cell lung cancer (NSCLC).
  • Developing deubiquitinase inhibitors is challenging.

Purpose of the Study:

  • To identify and validate a small molecule inhibitor for OTUD7B.
  • To investigate the mechanism of action of the OTUD7B inhibitor.
  • To explore the therapeutic potential of OTUD7B inhibition in cancer.

Main Methods:

  • AI-aided screening of a large compound library.
  • Cell-based assays in NSCLC and HEK293 cells.
  • In vitro enzyme assays for deubiquitination activity.

Main Results:

  • A novel small molecule inhibitor (7Bi) for OTUD7B was discovered.
  • 7Bi reduces Akt-pS473 signaling by inhibiting OTUD7B-mediated GβL deubiquitination.
  • 7Bi demonstrated efficacy in both cell-based and in vitro assays.
  • OTUD7B inhibition also impacted leukemia cells via the OTUD7B/GβL axis.

Conclusions:

  • This study presents the first putative OTUD7B inhibitor with demonstrated cellular and in vitro activity.
  • The identified inhibitor (7Bi) has potential as a therapeutic agent for cancers overexpressing OTUD7B.
  • Targeting the OTUD7B/GβL signaling axis offers a potential therapeutic strategy for cancer treatment.