2. Academic Validation
  3. Identification and molecular mechanism of a tri-peptide inhibitor targeting iNOS from duck embryo protein hydrolysates by experimental and bioinformatics studies

Identification and molecular mechanism of a tri-peptide inhibitor targeting iNOS from duck embryo protein hydrolysates by experimental and bioinformatics studies

  • Bioorg Chem. 2022 May;122:105736. doi: 10.1016/j.bioorg.2022.105736.
Yudi Peng 1,  Lijun Bu 2,  Xiaochun Zhang 3,  Zhengmei Ji 4,  Huadong Xie 5,  Guizhao Liang 6
Affiliations

Affiliations

  • 1 Key Laboratory of Biorheological Science and Technology, Ministry of Education, Bioengineering College, Chongqing University, Chongqing 400044, China.
  • 2 Chongqing Academy of Animal Sciences, Chongqing Engineering Research Center of Meat Quality Evaluation and Processing, Rongchang, Chongqing 402460, China; School of Agriculture, Jinhua Polytechnic, Jinhua, Zhejiang, Jinhua 321000, China.
  • 3 Chongqing Academy of Animal Sciences, Chongqing Engineering Research Center of Meat Quality Evaluation and Processing, Rongchang, Chongqing 402460, China.
  • 4 School of Agriculture and Animal Husbandry, Qinghai University, Xining 810016, China.
  • 5 Chongqing Academy of Animal Sciences, Chongqing Engineering Research Center of Meat Quality Evaluation and Processing, Rongchang, Chongqing 402460, China; School of Agriculture, Jinhua Polytechnic, Jinhua, Zhejiang, Jinhua 321000, China. Electronic address: xiehuadong2004@163.com.
  • 6 Key Laboratory of Biorheological Science and Technology, Ministry of Education, Bioengineering College, Chongqing University, Chongqing 400044, China. Electronic address: gzliang@cqu.edu.cn.
PMID: 35320738 DOI: 10.1016/j.bioorg.2022.105736
Abstract

Duck embryonic proteins are a promising source of food-derived functional Peptides. Using a combination of experiments and bioinformatics approaches, a tri-peptide inhibitor YPW targeting iNOS was identified from duck embryo protein hydrolysates. Our results indicated that YPW could significantly inhibit LPS-induced NO generation in macrophages in a dose-dependent manner. YPW also significantly inhibited the expression of IL-6 and iNOS. Molecular simulations revealed that YPW could interact strongly with (iNOS) with a binding energy of -45.71 ± 17.75 kJ/mol. The stability of YPW-iNOS was maintained by the hydrogen bonds of amino acid residues Ile195, Gly196, Gly365, Glu371, Asn364, and Trp366, and the hydrophobic interactions by Trp188, Phe363, and Val346. In conclusion, our study provides a new idea for broadening the utilization of duck embryo proteins, and a strategy for the discovery of food-derived bioactive Peptides.

Keywords

Inflammation; Molecular simulation; Simulated gastrointestinal digestion; iNOS.

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