Food and Fermentation Industries >

2022 , Vol. 48 >Issue 15: 185 - 192

DOI: https://doi.org/10.13995/j.cnki.11-1802/ts.031287

Bioinformatics analysis of the bioactivities of in silico digest from Mytilus edulis proteins

  • CHEN Yannan ,
  • QIU Zhijun ,
  • LIU Xueqiang ,
  • REN Guoyan ,
  • LI Wenjie ,
  • ZHANG Mengyuan ,
  • ZHAO Yuan ,
  • ZHANG Bin
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  • 1(College of Food and Bioengineering, Henan University of Science and Technology, Luoyang 471000, China)
    2(College of Food Science and Biology, Hebei University of Science and Technology, Shijiazhuang 050000, China)
    3(College of Agriculture/college of tree peony, Henan University of Science and Technology, Luoyang 471000, China)

Received date: 2022-03-07

  Revised date: 2022-04-06

  Online published: 2022-09-02

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Abstract

Mussel (Mytilus sp.) is one of the vastly cultured shellfish in China with high nutritional value. However, the mussel products in China are still dominated by fresh products with insufficient resource utilization. In this study, in silico digestion of Mytilus edulis proteins produced a series of oligopeptides (dipeptide to pentapeptide). Nine peptides with potential research value were selected from these oligopeptides based on the PeptideRanker score and physicochemical property analysis. It was further found by the ADMET analysis and BIOPEP-UWM bioactivity prediction that seven oligopeptides had potential angiotension converting enzyme (ACE) inhibitory activity and seven oligopeptides had potential dipeptidyl peptidase-IV (DPP-IV) inhibitory activity. Through further screening by SwissDock and iDPPIV-SCM, it was determined that QYGGR and HMR had the best ACE and DPP-IV inhibition activities, respectively. The interaction between QYGGR and ACE (CDOCKER energy: -156.078 kcal/mol), and between HMR and DPP-IV (CDOCKER energy: -92.410 kcal/mol) could form a stable complex, respectively, in which inhibition on ACE could be resulted from the interaction by QYGGR with eight amino acid residues of ACE, and inhibition on DPP-IV could be resulted from the interaction by HMR with five residues in S1, three residues in S2 and one residue in S3 pocket of DPP-IV. This study provides a theoretical basis for the interpretation of the nutritional value of M.edulis and the development of bioactive peptides derived from M.edulis.

Key words： Mytilus edulis; in silico digestion; angiotensin converting enzyme inhibitory peptides; dipeptidyl peptidase-IV inhibitory peptides; molecular docking

Cite this article

CHEN Yannan , QIU Zhijun , LIU Xueqiang , REN Guoyan , LI Wenjie , ZHANG Mengyuan , ZHAO Yuan , ZHANG Bin . Bioinformatics analysis of the bioactivities of in silico digest from Mytilus edulis proteins[J]. Food and Fermentation Industries, 2022 , 48(15) : 185 -192 . DOI: 10.13995/j.cnki.11-1802/ts.031287

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