Exploring Arylidene–Indolinone Ligands of Autophagy Proteins LC3B and GABARAP

We report the first structure–activity studies of arylidene–indolinone compound GW5074, which was reported as a ligand of autophagy-related protein LC3B. The literature has conflicting information on the binding affinity of this compound, and there is some debate regarding its use as a component of autophagy-dependent degrader compounds. We developed an AlphaScreen assay to measure competitive inhibition of the binding of known peptide ligands to LC3B and its paralog GABARAP. Eighteen analogs were synthesized and tested against both proteins. Inhibitory potencies were found to be in the mid- to high-micromolar range. 2D-NMR data revealed the binding site on GABARAP as hydrophobic pocket 1, where native peptide ligands bind with an aromatic side chain. Our results suggest that GW5074 binds LC3B and GABARAP with micromolar affinity. These affinities could support further exploration in targeted protein degradation, but only if off-target effects and poor solubility can be appropriately addressed.

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Publication Details

Journal
JuSER Publikationsportal
Published
2025-01-01
DOI
https://doi.org/10.34734/fzj-2025-03035
Primary Topic
Geochemistry and Geologic Mapping
Type
article
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article

Exploring Arylidene–Indolinone Ligands of Autophagy Proteins LC3B and GABARAP

JuSER Publikationsportal
Geochemistry and Geologic Mapping
article

Exploring Arylidene–Indolinone Ligands of Autophagy Proteins LC3B and GABARAP

article en

Abstract

We report the first structure–activity studies of arylidene–indolinone compound GW5074, which was reported as a ligand of autophagy-related protein LC3B. The literature has conflicting information on the binding affinity of this compound, and there is some debate regarding its use as a component of autophagy-dependent degrader compounds. We developed an AlphaScreen assay to measure competitive inhibition of the binding of known peptide ligands to LC3B and its paralog GABARAP. Eighteen analogs were synthesized and tested against both proteins. Inhibitory potencies were found to be in the mid- to high-micromolar range. 2D-NMR data revealed the binding site on GABARAP as hydrophobic pocket 1, where native peptide ligands bind with an aromatic side chain. Our results suggest that GW5074 binds LC3B and GABARAP with micromolar affinity. These affinities could support further exploration in targeted protein degradation, but only if off-target effects and poor solubility can be appropriately addressed.

JuSER Publikationsportal
Forschungszentrum Jülich (DE)
No poverty
Openalex Percentile: Top 63%
Geochemistry and Geologic Mapping
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