Evaluation of the Mechanism of Jiedu Huazhuo Quyu Formula in Treating Wilson’s Disease-Associated Liver Fibrosis by Network Pharmacology Analysis and Molecular Dynamics Simulation

Figure 6

The herb-ingredient-target-pathway network relationship and the results of docking analysis and MD. (a) The herb-ingredient-target-pathway network. Octagons represent active compounds. Ellipses represent herbs. Rectangles represent pathways. Chevrons represent targets. (b) The molecular docking of CXCL8 to quercetin. (c) The molecular docking of MAPK1 to palmatine. (d) The molecular docking of AKT1 to bisdemethoxycurcumin. (e) The molecular docking of SRC to NSC122421. (f) The molecular docking of VEGFA to quercetin. (g) The molecular docking of IL-6 to quercetin. (h) RMSD plots for 3 protein-ligand complexes.

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