Study of Host-Guest Interaction and In Vitro Neuroprotective Potential of Cinnamic Acid/Randomly Methylated β-Cyclodextrin Inclusion Complex

Int J Mol Sci. 2024 Nov 28;25(23):12778. doi: 10.3390/ijms252312778.

Abstract

Cinnamic acid (CA) has many beneficial effects on human health. However, its poor water solubility (0.23 g/L, at 25 °C) is responsible for its poor bioavailability. This drawback prevents its clinical use. To overcome the solubility limits of this extraordinary natural compound, in this study, we developed a highly water-soluble inclusion complex of CA with randomly methylated-β-cyclodextrin (RAMEB). The host-guest interaction was explored in liquid and solid states by UV-Vis titration, phase solubility analysis, FT-IR spectroscopy, and 1H-NMR. Additionally, molecular modeling studies were carried out. Both experimental and theoretical studies revealed a 1:1 CA/RAMEB inclusion complex, with a high apparent stability constant equal to 15,169.53 M-1. The inclusion complex increases the water solubility of CA by about 250-fold and dissolves within 5 min. Molecular modeling demonstrated that CA inserts its phenyl ring into the RAMEB cavity with its propyl-2-enoic acid tail leaning from the wide rim. Finally, a biological in vitro study of the inclusion complex, compared to the free components, was performed on the neuroblastoma SH-SY5Y cell line. None of them showed cytotoxic effects at the assayed concentrations. Of note, the pretreatment of SH-SY5Y cells with CA/RAMEB at 10, 30, and 125 µM doses significantly counteracted the effect of the neurotoxin MPP+, whilst CA and RAMEB alone did not show any neuroprotection. Overall, our data demonstrated that inclusion complexes overcome CA solubility problems, supporting their use for clinical applications.

Keywords: biological in vitro study; cinnamic acid; inclusion complex; physicochemical characterization; randomly methylated β-cyclodextrin.

MeSH terms

  • Cell Line, Tumor
  • Cinnamates* / chemistry
  • Cinnamates* / pharmacology
  • Humans
  • Methylation
  • Models, Molecular
  • Neuroprotective Agents* / chemistry
  • Neuroprotective Agents* / pharmacology
  • Solubility*
  • Spectroscopy, Fourier Transform Infrared
  • beta-Cyclodextrins* / chemistry
  • beta-Cyclodextrins* / pharmacology

Substances

  • Cinnamates
  • cinnamic acid
  • beta-Cyclodextrins
  • Neuroprotective Agents