Comparison of non-covalent binding interactions of six caffeoylquinic acids with β-lactoglobulin: Spectroscopic analysis, molecular docking and embedding of curcumin. (April 2023)

• Record Type: Journal Article
• Authors: Liu, Jiayuan; Song, Gongshuai; Zhou, Like; Wang, Danli; Yuan, Tinglan; Li, Ling; He, Guanghua; Xiao, Gongnian; Gong, Jinyan
• Is Part Of: Food hydrocolloids. Volume 137(2023)
• Publication Date: 2023-04
• Subjects: β-Lactoglobulin -- Caffeoylquinic acids -- Curcumin -- Non-covalent bonding; Hydrocolloids -- Periodicals; Food additives -- Periodicals; Colloïdes -- Périodiques; Aliments -- Additifs -- Périodiques; Colloids; Food additives; Periodicals; Electronic journals; 664.06
• DOI: 10.1016/j.foodhyd.2022.108391
• Languages: English
• ISSNs: 0268-005X

Abstract

Abstract: In this study, we systematically compared the differences in the interactions of β-lactoglobulin (LG) with three mono-caffeoylquinic acids (MCQAs: 3-CQA, 4-CQA, and 5-CQA) and three dicaffeoylquinic acids (DCQAs: 3, 4-DCQA, 3, 5-DCQA, and 4, 5-DCQA). Based on molecular docking techniques, it was concluded that the non-covalent binding of all six caffeoylquinic acids to LG was dominated by hydrophobic forces, among which the binding ability of DCQAs was stronger. The antioxidant assay revealed that caffeoylquinic acid significantly improved the antioxidant properties of LG, and the best antioxidant properties were achieved with 4, 5-DCQA. The DPPH radical scavenging ability was increased by approximately 54 μmol Trolox/g-sample, and the ABTS radical scavenging ability increased by 29.26 μmol Trolox/g-sample. Six non-covalent complexes were used to embed curcumin, and the stability of the formed solution was further investigated and compared. Graphical abstract: Image 1 Highlights: Non-covalent complexes were prepared using β-lactoglobulin and six caffeoylquinic acids, respectively, and the ability of the six caffeoylquinic acids to bind proteins was compared. The theoretical ability of dicaffeoylquinic acids to bind to β-lactoglobulin was significantly higher than that of monocaffeoylquinic acids. The introduction of caffeoylquinic acids slightly changed the secondary and tertiary structure of β-lactoglobulin, and effectively improved the antioxidant property and solubility of β-lactoglobulin. When β-lactoglobulin was combined with caffeoylquinic acids and then embedded curcumin, the system had greater stability and better dispersion.