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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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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Molecular insight on the binding of halogenated organic phosphate esters to human serum albumin and its effect on cytotoxicity of halogenated organic phosphate esters

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 270, С. 132383 - 132383

Опубликована: Май 15, 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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Assessing the role of Berberine as an inhibitor of advanced glycation end products (AGEs) formation using in vitro and molecular interaction studies

Archives of Biochemistry and Biophysics, Год журнала: 2025, Номер unknown, С. 110292 - 110292

Опубликована: Янв. 1, 2025

Язык: Английский

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Beyond DNA interactions: Insights into idarubicin's binding dynamics with tRNA using spectroscopic and computational approaches

Journal of Photochemistry and Photobiology B Biology, Год журнала: 2025, Номер 266, С. 113147 - 113147

Опубликована: Март 9, 2025

Язык: Английский

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Methotrexate for Drug Repurposing as an Anti-Aggregatory Agent to Mercuric Treated α-Chymotrypsinogen-A

The Protein Journal, Год журнала: 2024, Номер 43(2), С. 362 - 374

Опубликована: Март 2, 2024

Язык: Английский

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Paraquat disrupts KIF5A-mediated axonal mitochondrial transport in midbrain neurons and its antagonism by melatonin

The Science of The Total Environment, Год журнала: 2024, Номер 934, С. 173119 - 173119

Опубликована: Май 14, 2024

Язык: Английский

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