title: A Study of the Interaction of Bovine Hemoglobin with Synthetic Dyes Using Spectroscopic Techniques and Molecular Docking.
abstract: Synthetic dyes are a very efficient class of dyes that are ingested or come into contact with the skin from numerous sources (cosmetics, textiles, leather, paper, and drugs). An important component of their safety profile is the interactions that they form after they enter the body. Hemoglobin is a functionally important protein that can form multiple interactions with soluble compounds present in the blood, and hence forms an important aspect of the toxicological or safety profile of the dyes. Here we study the interaction between bovine hemoglobin and organic dyes using UV-Vis absorbance and fluorescence spectroscopy. Molecular modeling was used to visualize the binding site and partners of the dye molecules, within the hemoglobin molecule. We find that all four dyes studied form sufficiently strong interactions with hemoglobin to allow for the formation of potentially toxic interactions. Molecular modeling showed that all four dyes bind within the central cavity of the hemoglobin molecule. However, binding partners could not be identified as multiple binding conformations with very similar energies were possible for each dye.
authors.affiliation: Department of Chemistry, Lovely Professional University Phagwara, India.
authors.lastname: Kamaljeet
authors.affiliation: Department of Chemistry, Lovely Professional University Phagwara, India.
authors.forename: Saurabh
authors.initials: S
authors.lastname: Bansal
authors.affiliation: Department of Chemistry, Lovely Professional University Phagwara, India.
authors.forename: Uttara
authors.initials: U
authors.lastname: SenGupta
keywords: UV-Visible spectroscopy; azo-dyes; fluorescence; hemoglobin; ligand binding; molecular docking