Inclusion complexes of (S)-naproxen and native cyclodextrins: Supramolecular structure and stability

•Naproxen/CDs inclusion complexes were prepared by a modified ball milling technique.•Naproxen/CDs inclusion complexes were characterized by experimental (FT-IR, NMR and DSC) methods.•DFT calculated ΔGs showed spontaneous formation of naproxen/β-CD and naproxen/γ-CD complexes.•Stability of the naproxen/CDs complexes depends on the orientation of the guest molecule.