Identification and evaluation of antioxidant peptides from highland barley distiller's grains protein hydrolysate assisted by molecular docking

Chen, Lihua; Chen, Shaohua; Rong, Yuzhi; Zeng, Wenhua; Hu, Zhenkang; Ma, Xia; Feng, Shengbao

doi:10.1016/j.foodchem.2023.137441

Cited by 17 publications

(1 citation statement)

References 40 publications

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“…After concentrating the solution, a precipitation process was carried out using 95% ethanol at 4 • C for 12 h. The resulting mixture was then centrifugated and retained for precipitation, redissolved in deionized water, and subsequently subjected to dialysis (above 3.5 kDa) for 48 h. The retention solution was freeze-dried to obtain the crude HBG. The DPPH radical scavenging activity of the crude HBG was evaluated using a previously described method [50]. Briefly, a mixture of 2 mL of HBG samples (1 mg/mL) and 2 mL DPPH solution (0.2 mmol/L) were incubated in dark conditions for 30 min.…”

Section: Extraction Of Crude Polysaccharidesmentioning

confidence: 99%

Structural Characterization and Antioxidant Activity of β-Glucans from Highland Barley Obtained with Ultrasonic–Microwave-Assisted Extraction

Chen,

Cui,

Wang

et al. 2024

Molecules

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In order to efficiently extract β-glucan from highland barley (HBG) and study its structural characterization and antioxidant activity, ultrasonic–microwave-assisted extraction (UME) was optimized by the response surface method (RSM). Under the optimal extraction conditions of 25.05 mL/g liquid–solid ratio, 20 min ultrasonic time, and 480 W microwave intensity, the DPPH radical scavenging activity of HBG reached 25.67%. Two polysaccharide fractions were purified from HBG, namely HBG-1 and HBG-2. Structural characterization indicated that HBG-1 and HBG-2 had similar functional groups, glycosidic linkages, and linear and complex chain conformation. HBG-1 was mainly composed of glucose (98.97%), while HBG-2 primarily consisted of arabinose (38.23%), galactose (22.01%), and xylose (31.60%). The molecular weight of HBG-1 was much smaller than that of HBG-2. Both HBG-1 and HBG-2 exhibited concentration-dependent antioxidant activity, and HBG-1 was more active. This study provided insights into the efficient extraction of HBG and further investigated the structure and antioxidant activities of purified components HBG-1 and HBG-2. Meanwhile, the results of this study imply that HBG has the potential to be an antioxidant in foods and cosmetics.

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Section: Extraction Of Crude Polysaccharidesmentioning

confidence: 99%

Structural Characterization and Antioxidant Activity of β-Glucans from Highland Barley Obtained with Ultrasonic–Microwave-Assisted Extraction

Chen,

Cui,

Wang

et al. 2024

Molecules

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Effect of tremella polysaccharides on the quality of collagen jelly: insight into the improvement of the gel properties and the antioxidant activity of yak skin gelatin

Zhang,

Han,

Wang

et al. 2024

J Sci Food Agric

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BackgroundThe present study aimed to investigate the effects of tremella polysaccharides on the gel properties and antioxidant activity of yak skin gelatin with a view to improving the quality of collagen jellies. The preparation of composite gels were performed by yak skin gelatin (66.7 mg/mL) and tremella polysaccharides with different concentrations (0, 2, 4, 6, 8 mg/mL), and finally the collagen jelly was prepared by composite gel (yak skin gelatin: 66.7 mg/mL; tremella polysaccharides:6 mg/mL) with the best performance.ResultsTremella polysaccharides not only improved the hardness, springiness, gel strength, water holding capacity and melting temperature of yak skin gelatin, but also enhanced the composite gel's scavenging activity against ABTS radicals, DPPH radicals, O2 and OH radicals. The filling of tremella polysaccharides into the gelatin network increased the number of cross‐linking sites inside the gel, which resulted in that the gel network structure becomes dense and orderly. The gel particles became finer and more uniform, and the thermal stability was improved. Furthermore, the sensory score of commercially available gelatin jelly decreased more rapidly during storage compared to the composite gel jelly.ConclusionThe gel properties and antioxidant activity of yak skin gelatin were improved by adding tremella polysaccharides, and then the quality and storage properties of jelly were improved, which also provided technical reference for the development of functional gel food.This article is protected by copyright. All rights reserved.

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

Liu,

Qin

et al. 2024

J Sci Food Agric

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

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Identification and evaluation of antioxidant peptides from highland barley distiller's grains protein hydrolysate assisted by molecular docking

Cited by 17 publications

References 40 publications

Structural Characterization and Antioxidant Activity of β-Glucans from Highland Barley Obtained with Ultrasonic–Microwave-Assisted Extraction

Structural Characterization and Antioxidant Activity of β-Glucans from Highland Barley Obtained with Ultrasonic–Microwave-Assisted Extraction

Effect of tremella polysaccharides on the quality of collagen jelly: insight into the improvement of the gel properties and the antioxidant activity of yak skin gelatin

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

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