Comprehensive Molecular Docking on the AlphaFold-Predicted Protein Structure Proteome: Identifying Target Protein Candidates for Puberulic Acid, a Suspected Lethal Nephrotoxin
Teppei Hayama, Rin Sugawara, Ryo Kamata, Masakazu Sekijima, Kazuki Takeda
This study uses molecular docking on AlphaFold2-predicted protein structures to identify potential targets for puberulic acid, highlighting sodium/myo-inositol cotransporters as high-affinity candidates.
bioRxiv · Jan 30, 2025 · PreprintBioinformatics