Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold

About this article

Diacylglycerol (DAG) lipids are important secondary messenger for cell signalling and cellular levels can be controlled through phosphorylation mediated by DAG kinases (DGK). Small molecule inhibitors of individual DGK proteins would be valuable tools to investigate DAG signalling but have been difficult to develop because of limited information on binding pockets available for targeting in cells.

An integrated chemical proteomics and AlphaFold strategy can predict unexpected binding regions for covalent inhibitor development.


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Royal Society of Chemistry