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Fig. 5 | BMC Complementary Medicine and Therapies

Fig. 5

From: Mechanisms of Spica Prunellae against thyroid-associated Ophthalmopathy based on network pharmacology and molecular docking

Fig. 5

Molecular docking models of active compounds binding to potential targets. a The top 10 pairs of molecular docking simulation are shown. Schematics (3D) represent that molecular model of the compound is in the binding pocket of the protein. The compounds are shown as stick model with yellow colored. The amino acid residues surrounding are represented by surface. Schematics (2D) show the interactions between compounds and surrounding residues. The purple dashed lines represent hydrogen bonds and the interaction distances are indicated beside to the bonds. The orange lines demarcate pi-pi stacking interactions. b 3D column diagram shows the affinity of 10 pairs docking models. X-axis: protein names, Y-axis: active compounds, Z-axis: the absolute value of the docking affinity

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