Investigation of Host–Guest Inclusion Complex of Mephenesin with α-Cyclodextrin for Innovative Application in Biological System

The goal of this study was to use coevaporation to look into how polyether compounds like mephenesin (MEP) can be encapsulated into the host molecule α-cyclodextrin's nanohydrophobic cage. Fourier transform infrared spectroscopy (FT-IR) investigations, powder X-ray diffraction (PXRD), and ¹H NMR were among the spectroscopic techniques used to describe the inclusion complex. Additionally, Job's plot has been utilized to illustrate how MEP is encapsulated with α-cyclodextrin (α-CD) at a 1:1 molar ratio. The thermal stability of MEP increased after encapsulation according to thermogravimetric analysis (TGA) and differential thermal analysis (DTA) experiments. Mephenesin fits into the cavity of α-cyclodextrin in a 1:1 ratio, as observed by molecular docking for the inclusion complex to find the most appropriate orientation. This observation is further supported by the Job plot. Furthermore, a comparison was carried out based on a cell viability study between the medication and its inclusion complex.