Robust drug-protein interaction prediction tool
The researchers develop PointDPI to predict drug-protein interactions (DPIs) by integrating linear and 3D molecular structures.
PointDPI preserves intermolecular relationships and predicts key regulatory sites, outperforming several state-of-the-art methods.
Four predicted drug-protein interactions (DPIs) are experimentally validated at both mRNA and protein levels, highlighting the therapeutic potential of adenosine in inflammatory diseases, ondansetron and etodolac in neurological diseases, and neuroprotective action for dopamine.
https://www.cell.com/cell-reports-methods/fulltext/S2667-2375(26)00004-4
