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

Table 3

Schrödinger Maestro docking scores and relative binding-free energies obtained by prime MM-GBSA (kcal/mol) of top-ranked cinnamic acids based on the AutoDock tool against MMP2 active site (PDB ID, 1QIB).

Compound name	G score	MM-GBSA-dG binding energy
Cynarin	−9.77	−26.95
Rosmarinic acid	−11	−24.79
Chlorogenic acid	−8.76	−20.72

MMP2, matrix metalloproteinase-2.