Figure 5 | Scientific Reports

Figure 5

From: Bergenin inhibits growth of human cervical cancer cells by decreasing Galectin-3 and MMP-9 expression

Figure 5

Molecular docking and molecular dynamic simulation of galectin-3 and bergenin complex. (A) The surface representation of galectin-3 and the docking/binding pocket of bergenin (ball-and-stick) are shown in the mesh. (B) Cartoon representation of bergenin binding site in galectin-3. (C) H-bonded interactions formed by docked bergenin compound with galectin-3. (D) The ligplot shows the hydrophobic and H-bonded interactions formed by bergenin. (E) Superimposition of galectin-3-bergenin complex at 0 and 100 ns of MD simulations. (F) RMSD plot of galectin-3-bergenin complex 100 ns MD simulations.

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