Fig. 9

Identification of potential target drugs and molecules. A (Left) Protein–ligand docking complex of DRAM1 with Retapamulin. (Right) Zoomed-in views of the interaction contact region. B (Left) Bar graph showing the number of drugs interacting with Retapamulin. (Right) Multi-ring chart showing different interaction effects, interaction drug targets, and target-enriched pathways from inner to outer rings. C Optimized molecular structure of Retapamulin and the associated improved properties. D De novo molecular design based on DRAM1