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Further molecular docking studies and MD simulation with principal component analysis (PCA), free energy landscape (FEL), dynamic cross-correlation matrix (DCCM), and Molecular Mechanics/PoissonBoltzmann Surface Area (MM/PBSA) analysis revealed the lead compound was an inhibitor of TP53 and AKT1

The luminescence of the diluted sample (40 ml) mixed with an equal volume of rL/L reagent (Promega) was measured

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