MnFe2O4@L‐Cysteine as a Drug Delivery System, In Vitro Cytotoxicity Evaluation on Human Breast Cancer Cell (MCF7) and DFT Calculation

Abstract Thanks to their high hydrophilic and magnetic properties, MnFe 2 O 4 nanoparticles (NPs) are recognized as favorable drug carriers. In this study, L‐Cysteine‐modified MnFe 2 O 4 nanoparticles (MnFe 2 O 4 @L‐Cysteine) were prepared and characterized. Their cytotoxicity against human breast cancer cell lines (MCF7) was also evaluated by MTT assay. To simulate drug delivery systems, the interaction between modified NP and 5‐fluorouracil (5‐FU) was examined as a breast cancer drug. The MTT results showed the applicability of MnFe 2 O 4 @L‐Cysteine nanoparticles as a potential cytotoxic agent in breast cancer treatment. Based on the theoretical calculations, the adsorption energy between L‐Cysteine and 5‐FU was −12.029 kJ/mol and their interaction was spontaneous and exothermic at the temperature range of 278.15 to 288.15 K. Also, the drug release thermodynamically is feasible at body temperature. The calculated electronic descriptors indicated that the electrons were transferred from L‐Cysteine to 5‐FU. Overall, MNFe 2 O 4 @L‐Cysteine has the potential to deliver 5‐FU.