Precision screening identifies mitoxantrone as a multitarget inhibitor in ageing-associated cancers with extensive computational validation and doxorubicin comparison
Fig 2
The figure shows the prepared protein structures, their ligand binding sites, and the corresponding Ramachandran plots for the studied targets: A) Checkpoint kinase 1 (Chk1, PDB ID: 2YEX), B) MDM2 (Mouse double minute 2 homolog, PDB ID: 4HG7), C) mTOR (Mechanistic Target of Rapamycin kinase domain, PDB ID: 4JSX), and D) PARP-1 (Poly [ADP-ribose] polymerase 1 catalytic domain, PDB ID: 5DS3).