Compounds 1, 2, 4, and 5 show ligand interactions with 5DFP and compound 3 does not. The interactions between the ligand and protein are H-bonding and π-stacking. Compound 2 has the lowest binding energy at -6.66 kcal/mol. Compound 2 is also the most stable ligand-protein complex with relative binding-free energies of -58.92 kcal/mol and -45.88 kcal/mol. This suggests the potential of certain cannabinoids as inhibitors or modulators of PAK1, a kinase implicated in cancer progression and cellular signaling pathways.