Chitosan-Coated MIL-100(Fe) as an Anticancer Drug Carrier: Theoretical and Experimental Investigation

Shabnam Tohidi; Mehrdad Aghaie-Khafri

doi:10.1021/acsmedchemlett.3c00256

Chitosan-Coated MIL-100(Fe) as an Anticancer Drug Carrier: Theoretical and Experimental Investigation

ACS Med Chem Lett. 2023 Aug 14;14(9):1242-1249. doi: 10.1021/acsmedchemlett.3c00256. eCollection 2023 Sep 14.

Authors

Shabnam Tohidi¹, Mehrdad Aghaie-Khafri¹

Affiliation

¹ Faculty of Materials Science and Engineering, KN Toosi University of Technology, 1999143344 Tehran,Iran.

PMID: 37736166
PMCID: PMC10510509 (available on 2024-09-14)
DOI: 10.1021/acsmedchemlett.3c00256

Abstract

MIL-100(Fe) was synthesized under biofriendly conditions at room temperature and pressure using iron(II) chloride as the source of iron, and it was coated with chitosan (CS), a natural polysaccharide. In this study, we used a computational technique to predict the amount of drug loading in MIL-100(Fe) and MIL-100(Fe)/CS with molecular dynamics software LAMMPS. Powder X-ray diffraction analysis was conducted to characterize the chitosan-coated MIL-100(Fe) loaded with cyclophosphamide (MIL-100(Fe)/CS/CP). The drug loading and release processes were quantified using UV spectroscopy at 193 nm. The toxic effect of MIL-100(Fe)/CS/CP was determined on human breast cancer (MCF-7) cells. In vivo images and H&E analysis show inhibition properties of MIL-100(Fe)/CS/CP on tumor cells. The conducted research indicates that computational calculation provides a unique insight into the drug adsorption since a proper understanding of the atomic interaction of MIL-100(Fe)/CS with anticancer drugs is important for developing experimental investigations. The biocompatibility and anticancer properties of chitosan molecules enhanced the tumor inhibitory effect of the particles compared with the MIL-100(Fe)/CP and free cyclophosphamide treatments.