Food and Fermentation Industries >

2022 , Vol. 48 >Issue 15: 176 - 184

DOI: https://doi.org/10.13995/j.cnki.11-1802/ts.029015

Screening of potential anti-diabetic peptides from Pinctada martensii flesh based on network pharmacology and molecular docking techniques

  • LI Jiayun ,
  • WANG Xinzhi ,
  • WEI Yuanqing ,
  • LIN Binyan ,
  • LIU Rui ,
  • WU Hao
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  • 1(Jiangsu Key Laboratory of Research and Development in Marine Bio-resource Pharmaceutics, Nanjing 210023, China)
    2(College of Pharmacology, Nanjing University of Chinese Medicine, Nanjing 210023, China)
    3(Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization,Nanjing 210023, China)

Received date: 2021-08-18

  Revised date: 2021-09-10

  Online published: 2022-09-02

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Abstract

Based on network pharmacology and molecular docking techniques, peptides with potential anti-diabetic were screened from Pinctada martensii flesh. Nano-LC Q Exactive Orbitrap mass spectrometry (nano LC-MS/MS) was used to identify the major proteins in the P.martensii flesh. The predicted peptides were obtained under simulated enzyme digestion by using Peptide Cutter tool. Moreover, the potential active peptides were screened by molecular docking with SYBYL-X 2.0 software. The targets of potential active peptide were collected using Swiss Target database. Type 2 diabetes-related disease targets were collected based on the GeneCards database and OMIM-GENE-MAP database. Furthermore, cytoscape software and STRING platform were used to construct the peptide-component-target’ network and protein interaction network, and visualized analysis was performed to screen the core components and key targets of enzymatic peptides. Gene Ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis of common targets were carried out through Omicshare cloud platform. The dipeptidylpeptidase-IV(DPP-IV) inhibitory activity of peptides from P.martensii flesh was verified. The results showed that actin, myosin and tubulin were identified as the main components in the P.martensii flesh. Twenty-eight potential anti-diabetic peptides and their 377 gene targets were obtained. There were 1 705 disease targets for type 2 diabetes were identified and 25 key targets were screened out by visual analysis. The enrichment analysis showed that the enzymatic hydrolysis peptides were mainly involved in cell proliferation and apoptosis, protein metabolism, signal transduction and inflammatory reaction. Among those potential anti-diabetic peptides, 19 peptides showed DPP-IV inhibitory activity in vitro, peptide 26 showed the best DPP-IV inhibitory activity (IC50, 395 μmol/L). Active peptides could be screened by network pharmacology and molecular docking could be applied to screen active peptides from Pinctada martensii flesh. Based on this method, screened potential anti-diabetic peptides could exert their activity through pathways including regulating inflammation, substance metabolism and cell apoptosis.

Key words： Pinctada martensii flesh enzyme peptides; type 2 diabetes; network pharmacology; molecular docking

Cite this article

LI Jiayun , WANG Xinzhi , WEI Yuanqing , LIN Binyan , LIU Rui , WU Hao . Screening of potential anti-diabetic peptides from Pinctada martensii flesh based on network pharmacology and molecular docking techniques[J]. Food and Fermentation Industries, 2022 , 48(15) : 176 -184 . DOI: 10.13995/j.cnki.11-1802/ts.029015

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