Discovery and characterization of small molecule inhibitors of CBL-B that act as intramolecular glue to enhance T-cell anti-tumor activity
Gajewski, S.; Taherbhoy, A. M.; Boyle, K.; Gosling, J.; Perkins, J. R.; Dhamnaskar, K.; Sheung, J.; Baker, K.; O'Connell, N.; Bravo, B.; Mukerji, R.; Tenn-McClellan, A.; Kurylo, K.; Haria, D.; Gallotta, M.; Juan, J.; Tan, M.; Prakash, S.; Weiss, D. R.; Lawrenz, M.; Cardozo, M.; Wang, C.; Cummins, T.; Clifton, M. C.; Rountree, R.; Saha, A.; Zapf, C. W.; Hansen, G. M.; Sands, A. T.; Cohen, F.
Show abstract
CBL-B is a RING-type E3 ubiquitin ligase that acts as a critical negative regulator of T-cell activation. It promotes T-cell anergy and suppresses immune responses through ubiquitin-mediated control of signaling proteins at the immunological synapse. T cells deficient in CBL-B activity lose their dependence on CD28 co-stimulation, exhibit heightened activation and increased cytokine production, and fail to re-establish anergy. In addition, mice deficient in CBL-B activity reject tumors. Together, this cellular mechanism and in vivo phenotype suggest inhibition of CBL-B may be a viable immuno-oncology therapeutic strategy. Here, we report the rational design and execution of a high-throughput screen (HTS) to identify small molecule inhibitors of CBL-B. This campaign led to the discovery of a scaffold that inhibits CBL-B E3 ligase activity with micromolar potency. Structural characterization revealed an intramolecular glue mechanism, in which the compound stabilizes the closed state of CBL-B, preventing phosphorylation of a tyrosine residue that is critical for activation and E2 binding. Iterative structure-activity optimization yielded compounds with nanomolar activity that enhanced T-cell activation and cytokine secretion in primary human T cells and suppressed tumor growth in a syngeneic colorectal mouse model. Together, these studies validate the biological rationale for pharmacological CBL-B inhibition and enabled the de novo discovery of intramolecular CBL-B glue inhibitors. This work culminated in the identification of NX-1607, a first-in-class oral CBL-B inhibitor now in clinical development for cancer immunotherapy.
Matching journals
The top 6 journals account for 50% of the predicted probability mass.
Similar papers in this journal
- Targeted Protein Degradation by KLHDC2 Ligands Identified by High Throughput Screening 94%
- Discovery of a new class of reversible TEA-domain transcription factor inhibitors with a novel binding mode 94%
- Stereo-specific Lasofoxifene Derivatives Reveal the Interplay between Estrogen Receptor Alpha Stability and Antagonistic Activity in ESR1 Mutant Breast Cancer Cells 94%
Similar papers in this journal
- Reprogramming Cbx8-Prc1 Function With A Positive Allosteric Modulator 95%
- Structure-aided development of small molecule inhibitors of ENPP1, the extracellular phosphodiesterase of the immunotransmitter cGAMP 95%
- Catalytic domain plasticity of MKK7 reveals structural mechanisms of allosteric activation and new targeting opportunities 95%
Similar papers in this journal
- Discovery of CD28-Targeted Small Molecule Inhibitors of T Cell Co-stimulation Using Affinity Selection-Mass Spectrometry (AS-MS) and Ex Vivo Validation 96%
- Discovery of First-in-Class PROTAC Degraders of SARS-CoV-2 Main Protease 96%
- Novel bisubstrate inhibitors for protein N-terminal acetyltransferase D 96%
Similar papers in this journal
- Repurposing of the RIPK1 selective benzooxazepin-4-one scaffold for the development of a type-III LIMK1/2 inhibitor 96%
- Integrative x-ray structure and molecular modeling for the rationalization of procaspase-8 inhibitor potency and selectivity 95%
- A selective and rapid cell-permeable inhibitor of human caspase-3 95%
Similar papers in this journal
- A novel class of TMPRSS2 inhibitors potently block SARS-CoV-2 and MERS-CoV viral entry and protect human epithelial lung cells 95%
- Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2 95%
- Post-infection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection 95%
"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.