Efficient Production, Computational Screening, Molecular Docking, Quantum Chemical Calculations, and Application of Novel Antioxidant Peptides from Tartary Buckwheat in Composite Preservation Films

29 Pages Posted: 13 Jan 2025

See all articles by Yingjie Zhang

Yingjie Zhang

Sichuan Agricultural University

Xuemei xie

Sichuan Agricultural University

Yuanhang Yang

Sichuan Agricultural University

Lilin Huang

Sichuan Agricultural University

Guohui Nan

Yibin University

Xiaoli Wang

Sichuan Agricultural University

Haixia Zhao

Sichuan Agricultural University

Qi Wu

Sichuan Agricultural University

Abstract

The role of antioxidants as essential health-promoting additives is becoming increasingly recognised. Tartary buckwheat, a pseudocereal rich in polyphenols and proteins, is renowned for its strong antioxidant properties. The objective of this study was to develop an efficient method for the production and characterisation of antioxidant peptides derived from Tartary buckwheat. Alkaline hydrolysates of Tartary buckwheat albumin showed the highest yield and antioxidant activity using enzymatic hydrolysis with various proteases (p<0.05). The UPLC separation and protein sequencing of this fraction identified 1,284 peptide sequences. Computational screening identified 16 antioxidant peptides with higher abundance and stronger antioxidant potential. Molecular docking and quantum chemical calculations revealed WPWR, FLQL, and HGLFSPF as the most bioactive peptides. WPWR, which exhibited the highest in vitro antioxidant activity, was incorporated into peptide-polysaccharide composite preservation films. These films demonstrated excellent preservation effects on strawberries, underscoring the potential of Tartary buckwheat-derived antioxidant peptides for innovative food preservation technologies.

Keywords: Antioxidant peptides, identification, Molecular docking, Quantum Chemical Analysis, Preservation

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Suggested Citation

Zhang, Yingjie and xie, Xuemei and Yang, Yuanhang and Huang, Lilin and Nan, Guohui and Wang, Xiaoli and Zhao, Haixia and Wu, Qi, Efficient Production, Computational Screening, Molecular Docking, Quantum Chemical Calculations, and Application of Novel Antioxidant Peptides from Tartary Buckwheat in Composite Preservation Films. Available at SSRN: https://ssrn.com/abstract=5095317 or http://dx.doi.org/10.2139/ssrn.5095317

Yingjie Zhang

Sichuan Agricultural University ( email )

46 Xinkang Rd, Yucheng Qu
Sichuan Sheng
China

Xuemei Xie

Sichuan Agricultural University ( email )

46 Xinkang Rd, Yucheng Qu
Sichuan Sheng
China

Yuanhang Yang

Sichuan Agricultural University ( email )

46 Xinkang Rd, Yucheng Qu
Sichuan Sheng
China

Lilin Huang

Sichuan Agricultural University ( email )

46 Xinkang Rd, Yucheng Qu
Sichuan Sheng
China

Guohui Nan

Yibin University ( email )

China

Xiaoli Wang

Sichuan Agricultural University ( email )

46 Xinkang Rd, Yucheng Qu
Sichuan Sheng
China

Haixia Zhao

Sichuan Agricultural University ( email )

Qi Wu (Contact Author)

Sichuan Agricultural University ( email )

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