ISSN print edition: 0366-6352
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Synthesis and experimental/theoretical evaluation of β-CD/MTX nanostructure for use in targeted drug delivery systems

Hamid Hadi, Reza Safari, and Hamid Reza Shamlouei

Department of Chemistry (Physical Chemistry Group), Faculty of Science, University of Lorestan, Khorramabad, Iran



Received: 17 April 2022  Accepted: 27 August 2022


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, β-CD/MTX complex was prepared to increase the solubility and stability of methotrexate in aqueous solvents. The formation of β-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 β-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 β-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.

Keywords: β-CD/MTX; QTAIM; Nanostructure; Drug delivery; Solubility test; SEM; XRD; MTT test

Full paper is available at

DOI: 10.1007/s11696-022-02459-8


Chemical Papers 77 (1) 63–74 (2023)

Wednesday, June 19, 2024

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