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Binding of Α-Lipoic Acid to Human Serum Albumin: Spectroscopic and Molecular Modeling Studies Publisher



Toosimoghadam F1 ; Khoobi M2 ; Saboury AA1 ; Allahdad Z1 ; Khammari A1, 3 ; Seyedarabi A1 ; Karami L4 ; Ghasemi A1 ; Saso L5
Authors
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Authors Affiliations
  1. 1. Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran
  2. 2. Biomaterials Group, The Institute of Pharmaceutical Sciences (TIPS), Tehran University of Medical Sciences, Tehran, 1417614411, Iran
  3. 3. Department of Biophysics, School of Biological Sciences, Tarbiat Modares University, Tehran, Iran
  4. 4. Department of Cell and Molecular Biology, Faculty of Biological Science, Kharazmi University, Tehran, Iran
  5. 5. Department of Physiology and Pharmacology “Vittorio Erspamer�, Sapienza University of Rome, Rome, Italy

Source: Monatshefte fur Chemie Published:2021


Abstract

α-Lipoic acid as an antioxidant is used in the treatment of many diseases, such as diabetes, cardiovascular diseases, cancer, and AIDS. The objective of this study was to investigate the capability of human serum albumin (HSA) as a potential carrier for α-lipoic acid (α-LA). Molecular interactions between HSA and α-LA were monitored via fluorescence and circular dichroism spectroscopies as well as molecular docking and molecular dynamics simulations studies. The results revealed that α-LA binds to HSA with binding stoichiometry of 1:1 through hydrogen bonding and van der Waals interactions. The overall binding affinity was estimated to be of the order 105 M−1. α-LA induced partial folding in the tertiary structure and subtle alterations in the secondary structure of HSA, which was accompanied by increased thermal stability. The results also demonstrated that the complex formation between α-LA and HSA enhanced photostability under UV irradiation. The improved antioxidant activity of α-LA in electron donation was amongst the positive influences observed through the association of α-LA with HSA. Thus, their complexes can successfully be employed in the food and pharmaceutical industries. Graphic abstract: [Figure not available: see fulltext.]. © 2021, Springer-Verlag GmbH Austria, part of Springer Nature.