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Moreover, the anti-proliferative effect of chitosan, chitosan salicylaldehyde, and chitosan salicylaldehyde\/CuFe<jats:sub>2<\/jats:sub>O<jats:sub>4<\/jats:sub> was evaluated in <jats:bold>PC3<\/jats:bold> human prostate cancer cells and\u00a0<jats:bold>HSF<\/jats:bold> normal human skin fibroblasts. After 48\u00a0h, <jats:bold>PC3<\/jats:bold> cell proliferation was significantly inhibited by chitosan salicylaldehyde\/CuFe<jats:sub>2<\/jats:sub>O<jats:sub>4<\/jats:sub> and chitosan salicylaldehyde (IC<jats:sub>50<\/jats:sub>\u2009=\u200935.3 and 45.55\u00a0\u00b5g\/ml, respectively) without any effects on normal <jats:bold>HSF<\/jats:bold> cells. The mRNA expression levels of PI3K, AKT, mTOR, and CCND1 were examined in <jats:bold>PC3<\/jats:bold>-treated cells by using QRT-PCR, and the results demonstrated that, by down-regulating the expression levels of these genes, chitosan salicylaldehyde\/CuFe<jats:sub>2<\/jats:sub>O<jats:sub>4<\/jats:sub> significantly affected prostate cancer cell proliferation, progression, and autophagy more than chitosan salicylaldehyde. Furthermore, the docking stimulation of the chitosan derivatives with different proteins showed the presence of CuFe<jats:sub>2<\/jats:sub>O<jats:sub>4<\/jats:sub> particles effect on the interaction inside their pockets and increased the activities, and it\u2019s related to biological evaluation. Additionally, the theoretical investigation of these chitosan derivatives and the determination of their physical descriptors showed the activity of bimetallic oxide and the presence of electrostatic hydrogen bond interaction. 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