The effect of rice protein-polyphenols covalent and non-covalent interactions on the structure, functionality and in vitro digestion properties of rice protein

Food Chemistry, Год журнала: 2024, Номер 450, С. 139241 - 139241

Опубликована: Апрель 5, 2024

Язык: Английский

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Supramolecular self-assembly strategies of natural-based β-lactoglobulin modulating bitter perception of goat milk–derived bioactive peptides

Journal of Dairy Science, Год журнала: 2024, Номер 107(7), С. 4174 - 4188

Опубликована: Фев. 2, 2024

Complete self-assembly and reassembly behavior of bitter peptide-protein necessitates multilevel theories that encompass phenomena ranging from the recombinant complex to atomic trajectories. An extension level mechanism method was put forth, involves limited enzymatic digestion bottom-up proteomics dissect inherent heterogeneity within β-lactoglobulin β-lactoglobulin-PPGLPDKY uncover conformational dynamic alterations occurring in specific local regions model protein. Bitter peptide PPGLPDKY spontaneously bound IIAEKTK, IDALNENK, YLLFCMENSAEPEQSLACQCLVR 1:1 stoichiometric ratio mask bitterness perception. Molecular simulation free energy calculation provided time-varying trajectories complex, found stabilized upper region hydrophobic cavity with binding −30.56 kJ mol−1 through 4 hydrogen bonds (Glu74, Glu55, Lys69, Ser116) interactions (Asn88, Asn90 Glu112). Current research endeavors provide valuable physical insights into macroscopic between protein peptide, meticulous design highly acceptable taste characteristics goat milk products.

Язык: Английский

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Effects of myricetin and its derivatives on nonenzymatic glycation: A mechanism study based on proteomic modification and fluorescence spectroscopy analysis

Food Chemistry, Год журнала: 2024, Номер 455, С. 139880 - 139880

Опубликована: Май 29, 2024

Язык: Английский

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Oral delivery of berberine by liver-targeted zwitterionic nanoparticles to overcome multi-intestinal barriers and extend insulin treatment duration

Chemical Engineering Journal, Год журнала: 2024, Номер 485, С. 150129 - 150129

Опубликована: Март 1, 2024

Язык: Английский

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Structural characterization and binding interaction of rice glutelin fibrils complexing with curcumin

Food Chemistry, Год журнала: 2024, Номер 448, С. 139063 - 139063

Опубликована: Март 21, 2024

Язык: Английский

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Insight into the molecular interaction between the anticancer drug, enzalutamide and human alpha-2-macroglobulin: Biochemical and biophysical approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Год журнала: 2024, Номер 311, С. 123957 - 123957

Опубликована: Янв. 26, 2024

Язык: Английский

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Investigation on the molecular interaction between dietary flavone luteolin and alpha-2-macroglobulin using multi-spectroscopic, calorimetric and molecular dynamics simulation techniques

Journal of Molecular Liquids, Год журнала: 2024, Номер 398, С. 124198 - 124198

Опубликована: Фев. 9, 2024

Язык: Английский

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Probing the toxic effect of chlorpyrifos as an environmental pollutant on the structure and biological activity of lysozyme under physiological conditions

Chemosphere, Год журнала: 2024, Номер 355, С. 141724 - 141724

Опубликована: Март 16, 2024

Язык: Английский

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Molecular docking and molecular dynamics simulation of wheat gluten‐derived antioxidant peptides acting through the Keap1–Nrf2 pathway

Journal of the Science of Food and Agriculture, Год журнала: 2024, Номер unknown

Опубликована: Июнь 5, 2024

Abstract BACKGROUND In our previous study, we successfully identified five peptides from wheat gluten: Ala‐Pro‐Ser‐Tyr (APSY), Leu‐Tyr (LY), Pro‐Tyr (PY), Arg‐Gly‐Gly‐Tyr (RGGY) and Tyr‐Gln (YQ). Molecular docking molecular dynamics simulation methods were employed to investigate the interaction between these antioxidant Kelch‐like ECH‐associated protein 1 (Keap1 protein), revealing mechanism of their non‐competitive binding. addition, total capacity was determined using 2,2′‐azinobis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS) method. RESULTS The affinities APSY, LY, PY, RGGY YQ −8.9, −8.3, −8.5, −9.1 − 7.9 kcal mol −1 , respectively. effectively bound Keap1 through hydrogen, π‐σ, π‐alkyl alkyl interactions. Significant roles observed for P1 pocket residue ARG‐415 P3 ALA‐556 in interactions Keap1–peptide complexes. simulations further elucidated dynamic process peptide binding protein. All formed stable complexes with protein, van der Waals forces playing crucial complex systems, indicative peptides' strong ability −178.74, −123.11, −134.36, −132.59, −121.44 kJ Keap1–APSY, Keap1–LY, Keap1–PY, Keap1–RGGY Keap1–YQ complexes, These exhibited excellent effects. Among them, highest capacity, an activity value 1.18 ± 0.06 mmol Trolox equivalent (TE) L at a concentration 0.10 mg mL . RGGY, LY APSY followed descending order, values 0.91 0.05, 0.72 0.06, 0.62 0.04 0.60 0.05 TE CONCLUSION results unveiled by which act on active pockets Keap1–Nrf2 signaling pathway, providing theoretical basis development antioxidants. © 2024 Society Chemical Industry.

Язык: Английский

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Thermodynamic investigation of dicyclohexyl phthalate complex formation with α-Chymotrypsin using in silico and analytical methods

Journal of Molecular Liquids, Год журнала: 2024, Номер 410, С. 125572 - 125572

Опубликована: Июль 20, 2024

Язык: Английский

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