Cisplatin uptake and release assessment from hydrogel synthesized in acidic and neutral medium: An experimental and molecular dynamics simulation study

Abstract

Targeted drug delivery systems (TDDS) are currently considered to overcome traditional drug delivery systems’ criticisms and weaknesses. Biodegradable hydrogels are widely used for the design of appropriate TDDS. Among them, the gum-based hydrogel is known as a proper material to produce drug delivery systems. The present research aimed to design a biodegradable hydrogel with maximum swelling rate, optimum drug loading, and efficient release rate. The acquired experimental findings have been compared to the molecular dynamics (MD) simulation results. Therefore, a response surface methodology (D-optimal method) was used to optimize the guar gum-based hydrogel’s physicochemical properties. The D-optimal method was employed to design an experiment (DOE) to evaluate significant variables, including initiator concentration, monomer concentration, cross-linker, pH, reaction temperature, and reaction time. Findings showed the optimum swelling rate was 4903.876%. Then, the loading and release of cisplatin, selected as the hydrogel structure model drug, were investigated using the molecular dynamics simulation technique. Cisplatin’s uptake and release from the hydrogel structure were higher in an acidic environment than in a neutral medium.