title: Interaction of vitamin B1 with bovine serum albumin investigation using vitamin B1-selective electrode: potentiometric and molecular modeling study.
abstract: Vitamin B1 or thiamin is one of the B vitamins. All B vitamins help the body to convert food (carbohydrates) into fuel (glucose), which produces energy. The B vitamins are necessary for healthy skin, eyes, hair, and liver. It also could help the nervous system function properly, and is necessary for brain functions. Drug interactions with protein can affect the distribution of the drug and eliminate the drug in living systems. In this study, the binding of thiamine hydrochloride (vitamin B1) to bovine serum albumin (BSA) was evaluated using a new proposed vitamin B1 (thiamine)-selective membrane electrode under various experimental conditions, such as pH, ionic strength, and protein concentration; in addition molecular modeling was applied as well. The binding isotherms plotted based on potentiometric data and analyzed using the Wyman binding potential concept. The apparent binding constant was determined and used for the calculation of intrinsic Gibbs free energy of binding. According to the electrochemical and molecular docking results, it can be concluded that the hydrophobic interactions and hydrogen binding are major interactions between BSA and vitamin B1.
authors.affiliation: a Medical Laser Research Center, ACECR , Tehran , Iran.
authors.forename: Reza
authors.initials: R
authors.lastname: Hosseinzadeh
authors.affiliation: a Medical Laser Research Center, ACECR , Tehran , Iran.
authors.forename: Khatereh
authors.initials: K
authors.lastname: Khorsandi
mesh_terms: D000818:Animals; D001665:Binding Sites; D002417:Cattle; D004563:Electrochemistry; D004566:Electrodes; D006863:Hydrogen-Ion Concentration; D007700:Kinetics; D008958:Models, Molecular; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D011485:Protein Binding; D012710:Serum Albumin, Bovine / Q000737:chemistry* / Q000378:metabolism; D013831:Thiamine / Q000737:chemistry* / Q000378:metabolism
chemical_list: D012710:Serum Albumin, Bovine; D013831:Thiamine
keywords: binding isotherms; bovine serum albumin; ion-selective electrode; molecular docking; vitamin B1