TY - JOUR AU1 - Toosi-Moghadam, Fatemeh AU2 - Khoobi, Mehdi AU3 - Saboury, Ali Akbar AU4 - Allahdad, Zahra AU5 - Khammari, Anahita AU6 - Seyedarabi, Arefeh AU7 - Karami, Leila AU8 - Ghasemi, Atiyeh AU9 - Saso, Luciano AB - 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[graphic not available: see fulltext] TI - Binding of α-lipoic acid to human serum albumin: spectroscopic and molecular modeling studies JF - Monatshefte für Chemie - Chemical Monthly DO - 10.1007/s00706-021-02858-9 DA - 2021-12-01 UR - https://www.deepdyve.com/lp/springer-journals/binding-of-lipoic-acid-to-human-serum-albumin-spectroscopic-and-Ko0rdFCADO SP - 1589 EP - 1602 VL - 152 IS - 12 DP - DeepDyve ER -