Natural Anthraquinones as Promising MAPK3 Inhibitors for Complementary Cancer Therapy

Figure 3

Through the generation of (a) RMSD, (b) RMSF, (c) total energy, and (d) radius of gyration plots, the behavior of free MAPK3 backbone atoms was analyzed in the presence of emodin-8-glucoside and ulixertinib during a 100 ns MD simulation. The location of the asterisks in part (b) is within the protein’s active site. MAPK3, mitogen-activated protein kinase-3; RMSF, root mean square fluctuation; RMSD, root-mean-square deviations; MD, molecular dynamics.

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