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, Journal Year: 2024, Volume and Issue: 450, P. 139241 - 139241

Published: April 5, 2024

Language: Английский

---

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

Journal of Dairy Science, Journal Year: 2024, Volume and Issue: 107(7), P. 4174 - 4188

Published: Feb. 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.

Language: Английский

---

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

Food Chemistry, Journal Year: 2024, Volume and Issue: 455, P. 139880 - 139880

Published: May 29, 2024

Language: Английский

---

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

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 485, P. 150129 - 150129

Published: March 1, 2024

Language: Английский

---

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

Food Chemistry, Journal Year: 2024, Volume and Issue: 448, P. 139063 - 139063

Published: March 21, 2024

Language: Английский

---

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, Journal Year: 2024, Volume and Issue: 311, P. 123957 - 123957

Published: Jan. 26, 2024

Language: Английский

---

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, Journal Year: 2024, Volume and Issue: 398, P. 124198 - 124198

Published: Feb. 9, 2024

Language: Английский

---

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

Chemosphere, Journal Year: 2024, Volume and Issue: 355, P. 141724 - 141724

Published: March 16, 2024

Language: Английский

---

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, Journal Year: 2024, Volume and Issue: unknown

Published: June 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.

Language: Английский

---

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

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125572 - 125572

Published: July 20, 2024

Language: Английский

---