Synthesis, characterization, and molecular docking of ES/CA/Cs nanocomposite as a potential nanocarrier for gene delivery: a preliminary study

Abstract Nanotechnology has emerged as a promising approach in biomedical fields, including diagnosis and treatment. Gene therapy is a technique that delivers therapeutic genes into the targeted cells as an alternative to drugs or surgery, potentially minimizing harm to patients. The combination of gene therapy techniques and nanotechnology offers new opportunities to improve clinical outcomes. The present study aimed to develop a promising gene delivery carrier based on Eggshell/Citric Acid/Chitosan (ES/CA/Cs) nanocomposites synthesized via the co-precipitation method. The FTIR spectrum confirmed the chemical structure of the prepared nanocomposite. TEM analysis revealed plate-like structures with an average size of 300–400 nm, whereas DLS indicated hydrodynamic diameters ranging from 700 to 4000 nm. In silico molecular docking was performed using the MVD method within Schrodinger software. The results predicted favorable interactions between the synthesized nanocomposite and F218V mutant of the AtRCCR enzyme, with a binding affinity of -137.39 KJmol − 1 at the active site. These findings suggest that the ES/CA/Cs nanocomposite may serve as a potential carrier for gene delivery and warrants further in vivo investigation for renal cell carcinoma treatment. However, this study is limited to physicochemical characterization and in silico predictions, and no in vitro or in vivo biological validation was conducted. Therefore, future studies should include cytotoxicity assays on renal cell carcinoma cell lines, evaluation of gene loading and release profiles, cellular uptake studies, and in vivo investigations in appropriate animal models to validate the gene delivery potential of this nanocarrier.