Exploring Cinnamic Acids as Potent Antimetastatic Agents for Cancer Therapy: Molecular Docking and Dynamic Simulation against MMP2

Figure 2

The values depict the Gibbs free energy of binding, expressed in kcal/mol units, corresponding to the interactions between the MMP2 active site, the enzyme’s control inhibitor, and the cinnamic acids ranked highest. The names of the ligands can be found on the X-axis, while the Y-axis represents the corresponding Gibbs free binding energy values. A green diamond denotes the reference drug, and the most potent inhibitors of gelatinase A are depicted by red spots with a Ki value in the picomolar scale. Yellow spots highlight the additional cinnamic acids with Ki values in the nanomolar range. MMP2, matrix metalloproteinase-2; Ki, inhibition constant.