Network Pharmacology Integrated Molecular Docking to Explore the Mechanism of Blister Beetle Therapy for Lung Adenocarcinoma

Figure 6

Construction of the pharmacological regulatory network map of Chinese medicine with biomarkers and results of molecular docking. (a) Network diagram of pharmacological regulation of biomarkers in traditional Chinese medicine. (b) 3D conformer structure schematic of cantharidin. (c) Docking result diagram of 3UEH and cantharidin. The green double-ring stick model is the active molecule cantharidin. (d) 3D conformer structure schematic of oleic acid. (e) Docking result diagram of 5TRM and oleic acid. The green double-ring stick model is the active molecule oleic acid. (f) 3D conformer structure schematic of 3-phenyl-4-azafluorene. (g) Docking result diagram of 1Q40 and 3-phenyl-4-azafluorene. The green double-ring stick model is the active molecule 3-phenyl-4-azafluorene. (h) 3D conformer structure schematic of 3-phenyl-4-azafluorene. (i) Docking result diagram of 3UEH and 3-phenyl-4-azafluorene. The green double-ring stick model is the active molecule 3-phenyl-4-azafluorene. Dotted gray/yellow lines represent hydrophobic bonds formed between active ingredients and amino acid residues. Each dotted gray/yellow line represents a hydrophobic bond.

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