Natural Anthraquinones as Promising MAPK3 Inhibitors for Complementary Cancer Therapy

Figure 4

The structures of (a) free MAPK3, (b) MAPK3 in the presence of ulixertinib, and (c) MAPK3 in the presence of emodin-8-glucoside were superimposed after a 100 ns MD simulation. The protein chains before and after the MD analysis are depicted in green and red, respectively, while the ligands before and after the MD simulations are displayed in yellow and blue colors. MAPK3, mitogen-activated protein kinase-3; MD, molecular dynamics.

(a)

(b)

(c)