In Vitro Hemoglobin Binding and Molecular Docking of Synthesized Chitosan-Based Drug-Carrying Nanocomposite for...

Understanding the intermolecular interactions between antibiotic drugs and hemoglobin is crucial in biological systems. The current study aimed to investigate the preparation of chitosan/polysorbate-80/tripolyphosphate (CS-PS/TPP) nanocomposite as a potential drug carrier for Ciprofloxacin-HCl drug (CFX), intended for controlled release formulation and further used to interact with bovine hemoglobin. Fourier transform infrared (FT-IR) spectroscopy, thermogravimetric analysis-differential thermal analysis (TGA-DTA), scanning electron microscopy (SEM), dynamic light scattering (DLS), and X-ray diffraction analyses were used to characterize the CS-PS/TPP nanocomposite and its CFX-loaded nanocomposite. The second series of biophysical properties were performed on the Ciprofloxacin-loaded CS-PS/TPP (NCFX) for interaction with bovine hemoglobin (BHb). The interactions of (CFX and NCFX) with redox protein hemoglobin were investigated for the first time through a series of in vitro experimental techniques to provide comprehensive knowledge of the drug-protein binding interactions. Additionally, the effect of inclusion of PS-80 on the CFX-BHb interaction was also studied at different concentrations using fluorescence spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, and circular dichroism (CD) under physiological conditions. The binding process of CFX and NCFX was spontaneous, and the fluorescence of BHb was quenched due to the static mechanism formation of the (CFX/BHb) and (NCFX/BHb) complexes. Thermodynamic parameters ΔG, ΔH, and ΔS at various temperatures indicate that the hydrogen bonding and van der Waals forces play a major role in the CFX-BHb association.