Inclusion complex of 2-phenylethanol in β-cyclodextrin: preparation, characterization, computational study and evaluation of antinociceptive activity

In the present research, we employed advanced technologies, developing new investigations aiming to obtain simple and inexpensive molecules to reduce pain sensation. For the first time, the inclusion complex of 2-phenylethanol (2-PE) and β-cyclodextrin (β-CD) was achieved (using a spray drying) and characterized using spectroscopic, thermal, and computational methods.

Highlights

• Preparation of an inclusion complex between β-cyclodextrin and 2-phenylethanol.
• Characterization of inclusion complex using techniques such as XRD, TGA, DSC, and FTIR.
• Study of the pharmacological activity of the inclusion complex in comparison with the free form, providing valuable insights into its therapeutic potential.

Additionally, the system was evaluated for its antinociceptive abilities. Evidence of inclusion complex formation was provided based on various techniques, such as X-ray diffraction (XRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR), and then deduced by pharmacological experiments, which showed significant changes compared to the initial components.

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Materials

2-Phenylethanol (2-PE), Sigma-Aldrich brand, 98% (St. Louis, MO, USA), molecular mass = 122.16 g mol−1 was used for our experiments. β-cyclodextrin (β-CD), Company: Roquette, brand KLEPTOSE®, molecular mass = 1134.98 g mol−1. We used ultrapure water (18.2 MΩ) obtained from a Master All purification system (GEHAKA) to prepare the solutions. The other solvents used are of analytical grade.

Raiane M. Silva, Moises P. de Araújo, Celyane A. Piauilino, Márcio dos S. Rocha, Ivan dos S. Silva, Francisco I. da Silva, Francisco das C.A. Lima, Fernanda R. de C. Almeida, Allan K.S. Meneses, Samuel A.A. de Sousa, Sidney G. de Lima, Inclusion complex of 2-phenylethanol in β-cyclodextrin: preparation, characterization, computational study and evaluation of antinociceptive activity, Journal of Molecular Structure, 2024, 139236, ISSN 0022-2860, https://doi.org/10.1016/j.molstruc.2024.139236.

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