Fig. 1. Roxyl-ZR, a novel hybrid compound targeting CDK4 and HDAC1. (A) Structure of Roxyl-ZR. (B) Representation of the predicted binding modes of Roxyl-ZR (purple) and abemaciclib (yellow) in the ATP pocket of CDK4. Dashed lines indicate the H-bond interaction between compounds and CDK4. (C) Predicted binding mode of compound Roxyl-ZR (purple) and vorinostat (cyan) with HDAC1.