Binding of anticaries agent Chelorhexidine to Human Serum Albumin as vehicle for antibacterial purposes: Experimental and Molecular Docking Assessments

Human serum albumin (HSA) was used for targeted drug delivery that can enhance the pharmacokinetics, targetability, solubility, and stability of various therapeutic agents. The objective is the interaction studies of chelorhexidine drug, used extensively in oral hygiene for preventing dental plaque and treating infections of the mouth, with HSA. Fluorescence quenching assays, UV-visible spectroscopy, and three-dimensional fluorescence analyses were performed. Competitive binding studies with digitoxin, ibuprofen, and warfarin identified binding sites. Molecular docking simulations and circular dichroism (CD) spectroscopy were used to analyze changes in the secondary structure of HSA. CD spectroscopy indicated a reduction in α-helix content of HSA upon CHX interaction. HSA is a useful carrier for CHX. In general, this case support the idea that the use of HSA as carriers of chelorhexidine drug has benefits such as the treatment of intracellular infections increased serum half-life, reduced drug toxicity, and side effects such as hepatotoxicity.