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The aim is to discover new small molecules that interact with PCNA to enhance cancer treatment options.

Identification and Characterization of Novel PCNA-Interacting Small Molecule Scaffold

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The aim is to discover new small molecules that interact with PCNA to enhance cancer treatment options.
Utilized an AI-guided drug discovery workflow to screen over ten million compounds.
Prioritized compounds via differential scanning fluorimetry.
Characterized COH005 through X-ray crystallography to assess its binding to the PIP-box of PCNA.
Conducted cellular thermal shift assays to validate COH005's engagement with PCNA in cells.
Performed protein-structure frustration analysis to evaluate selectivity against an unrelated target.
Identified COH005 as a novel scaffold that binds to PCNA.
Established binding mechanism of COH005 at PCNA's PIP-box crucial for protein interactions.
Validation showed COH005 directly engages PCNA with similar characteristics to AOH1996.
Selectivity analysis indicated COH005 has unique favorable interactions with PCNA compared to other targets.

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Identifies COH005 as a new PCNA-interacting molecule, implying potential in cancer therapy.

Jossart et al. (2026) studied this question.

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