Fig. 5 | Scientific Reports

Fig. 5

From: Network pharmacology and experimental validation reveal dexmedetomidine’s protective mechanisms against acute liver injury in mice

Fig. 5

Molecular dynamics simulations and in vivo experiments for validating the pharmacological targets of DEX in ALI. (A) RMSD analysis of the EGFR-DEX complex from molecular dynamics simulations. (B) RMSF analysis of the EGFR-DEX complex from molecular dynamics simulations. (C) Radius of gyration (Rg) analysis of the EGFR-DEX complex in molecular dynamics simulations. (D) Solvent-accessible surface area (SASA) analysis of the EGFR-DEX complex in molecular dynamics simulations. (E) Hydrogen bond occupancy analysis during molecular dynamics simulations. (F) Three-dimensional structure of the EGFR-DEX complex. (G) Surface representation of the active site in the EGFR-DEX complex. (H) Detailed binding mode of the EGFR-DEX complex. (I) Western blot analysis of the levels of EGFR and p-EGFR; Quantitative analysis of EGFR and p-EGFR. (J) Immunohistochemical analysis of EGFR expression in mouse liver tissues. (K) Quantitative assessment of EGFR staining. Scale bar = 100 μm; Data are expressed as mean ± standard deviation (n = 6).*p < 0.05, **p < 0.01, ***p < 0.001, ****p < 0.0001. Con: control group; ALI: acute liver injury group; DEX: dexmedetomidine group; SIL: silymarin group.

Back to article page