Synthesis and experimental/theoretical evaluation of β-CD/MTX nanostructure for use in targeted drug delivery systems

Methotrexate is one of the most effective drugs commonly used to treat cancer. However, its use is limited due to low solubility, high toxicity, and rapid metabolism. On the other hand, Cyclodextrins improve the physical and chemical properties of complex materials (including solubility) due to their cyclic structure and ability to form host-guest complexes. Therefore, in the present study, beta-CD/MTX complex was prepared to increase the solubility and stability of methotrexate in aqueous solvents. The formation of beta-CD/MTX host-guest complexes was investigated and confirmed using UV-Vis, XRD, SEM, and PDI analyses. The drug loading and release rate from the beta-CD/MTX complex at different pHs was investigated. MTT assay was used to evaluate the toxicity of the complex synthesized on the T47D cell group. Also, using QTAIM theory, the possibility of drug loading and the stability of the formed complex were investigated. The results of this experiment had a good overlap in both theoretical and laboratory sections. The results showed that beta-CD has a good capacity for loading and unloading methotrexate molecules. Therefore, it can be used as a nanocarrier to improve the performance of methotrexate.

Automated summary

This study prepared a β-CD/MTX complex to improve the solubility and stability of methotrexate in aqueous solvents. The results showed that the β-CD has the ability to effectively load and unload methotrexate molecules, making it a potential nanocarrier for enhancing the performance of methotrexate.