Precision screening identifies mitoxantrone as a multitarget inhibitor in ageing-associated cancers with extensive computational validation and doxorubicin comparison
Fig 10
The figure shows the Binding Free and Total Complex Energy of Mitoxantrone in complex with Checkpoint kinase 1 (Chk1, PDB ID: 2YEX), MDM2 (Mouse double minute 2 homolog, PDB ID: 4HG7), mTOR (Mechanistic Target of Rapamycin kinase domain, PDB ID: 4JSX), and PARP-1 (Poly [ADP-ribose] polymerase 1 catalytic domain, PDB ID: 5DS3), computed on 100 ns MD Simulation Trajectories.