Encapsulation of flurbiprofen by chitosan using a spray-drying method with in vitro drug releasing and molecular docking

Objectives: This study aimed to prepare chitosan-flurbiprofen micro-nano spheres as environmentally friendly for drug releasing by spray-drying method without any cross-linking agent. It was also aimed to reveal the favorable binding geometries of chitosan and flurbiprofen using molecular modeling. Materials and Methods: In this study, flurbiprofen was encapsulated with chitosan using spray-drying technique. The used chitosan, flurbiprofen and obtained spheres were characterized via fourier transmission infrared spectrometer (FT-IR), thermogravimetric analysis (TGA), X-ray diffractometer and scanning electron microscopy (SEM). Drug entrapment efficiency was carried out for determination of the drug amount in the micro-nano spheres. In vitro release studies of CS-FP spheres were also examined in the simulated biological fluid at pH 7.4. Encapsulation process of flurbiprofen was combined with the docking studies to investigate the possible binding sites of the chitosan. Results: FT-IR results confirmed that H-bonding system was formed between chitosan and drug. CS-FP spheres with spherical shape were observed by SEM. TGA analysis results showed that thermal stabilities of flurbiprofen and chitosan were decreased after the encapsulation process. The spheres were used for in vitro releasing studies in simulated biological fluids. All these analysis results clearly showed that encapsulation was successfully carried out with 73.28% efficiency. Molecular modeling studies showed that CS-FP stable complexes was formed through a hydrogen bonding system between OH group of the drug molecule and chitosan hydroxyl (OH) group with a binding energy of -3.90 kcal/mol. Our computational results supported to spectroscopic results obtained by FTIR. Conclusion: This study proved that micro-nano spheres can be prepared without using cross-linking agent by spray-drying method. The results of the drug releasing studies showed that release of encapsulated flurbiprofen was completed within 48h. The results of docking analysis can be suggested for the design of new drug carrier systems with chitosan.