An efficient strategy for passive delivery of doxorubicin (DOX) to the breast (MDA-MB-231) and lung (A-549) cancer cells is presented and compared with MCF-10A normal breast cells. Two versions of a peptide structure (linear and cyclic) have been designed and assessed. The molecular dynamic simulations in Material Studio2017 exhibited a higher adsorption capacity for L2 (cyclic version) compared with the adsorption capacity of L1 (linear version) on the PG surface by electrostatic interactions between guanidine of arginine and -OH of PG. The prepared final product based on iron oxide nanoparticles and MIL-101(Fe) (formulated as DOX@Fe3O4/MIL-101-(C,L)C[RW]3) is characterized and the drug content has been estimated. The release profiles revealed an ultra-fast stimulus-sensitive model in acidic media, which corroborates a pH-triggered release. The in vitro assessments disclosed that aggregation of nanocargo around the cancer cells and resulted toxicity are more than the neat DOX in the same dosage as DOX@Fe3O4/MIL-101-CC[RW]3. The obtained distinguished features lie in ability to utilize a biocompatible nanocargo structure to release an appropriate dose of DOX in a controlled manner in the cancer cell environment. Moreover, the functionalization of MIL-101 using cyclic and linear peptides and their comparison is one of the important features of this project.
Keywords: Biochemical simulation; Cell-penetrating peptide; Targeted drug delivery.
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