Precision screening identifies mitoxantrone as a multitarget inhibitor in ageing-associated cancers with extensive computational validation and doxorubicin comparison
Fig 9
The figure shows the Simulation Interaction Diagram (SID) and its histogram representation for the studied targets in complex with Mitoxantrone with Aa, Ab) Checkpoint kinase 1 (Chk1, PDB ID: 2YEX), Ba, Bb) MDM2 (Mouse double minute 2 homolog, PDB ID: 4HG7), Ca, Cb) mTOR (Mechanistic Target of Rapamycin kinase domain, PDB ID: 4JSX), and Da, Db) PARP-1 (Poly [ADP-ribose] polymerase 1 catalytic domain, PDB ID: 5DS3).