Fig. 6

Molecular docking of hub genes with quercetin. (A) PPI network of major active ingredients and hub genes. (B) 2D structure of quercetin. (C) 3D structure of quercetin. (D) Heatmap of molecular docking scores between hub genes and quercetin. (E) Visualization of the molecular docking result with the lowest binding energy using PyMOL. In the image: proteins are shown in bright blue, quercetin in green, interacting amino acid residues in red, amino acid stick structures in orange, and hydrogen bonds as yellow dashed lines, with bond lengths indicated by numeric labels.