Licoflavone A Suppresses Gastric Cancer Growth and Metastasis by Blocking the VEGFR-2 Signaling Pathway

Figure 2

Protein-protein interaction (PPI) analysis and validation of LA targets. (a) The bubble size represents the number of genes enriched in this pathway, the bubble color difference represents the level of gene enrichment, and the circle size represents the number of targets in the pathway. The redder the color, the smaller the value. (b) A 2D diagram of the interaction between LA and VEGFR-2 (PBD: 4AGD). Dashed lines indicate hydrogen bonds, and eyelashes indicate hydrophobicity. (c) A 3D diagram of the interaction between LA and VEGFR-2 (PBD: 4AGD). The LA structure is shown in green. The amino acids associated with the A-chain binding pocket of 4AGD are indicated in purple. The amino acids associated with the B-chain binding pocket of 4AGD are indicated in indigo. Yellow dashed lines indicate the length of the hydrogen bonds. (d) Stability analysis of modeled proteins using the Desmond module (Schrodinger suite) for VEGFR-2 and LA protein interactions. (e) Histogram and percentage of interaction in molecular dynamics simulation of VEGFR-2-LA. (f) Simulation interaction diagram showing interactions of LA with crucial amino acids of the VEGFR-2 protein. (g) Results of microscale thermophoresis for LA vs. VEGFR-2. (h) Enzyme inhibitory activity of VEGFR-2.

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