4.5 Article

In silico identification of antidiabetic and hypotensive potential bioactive peptides from the sheep milk proteins-a molecular docking study

期刊

JOURNAL OF FOOD BIOCHEMISTRY
卷 46, 期 11, 页码 -

出版社

WILEY
DOI: 10.1111/jfbc.14137

关键词

bioactive peptides; DPP-IV and ACE inhibitory peptides; in silico proteolysis; molecular docking; sheep milk proteins

资金

  1. ICAR-National Dairy Research Institute Karnal, Haryana

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An in silico study was conducted to investigate the hydrolysis of sheep milk proteins and the generation of bioactive peptides with ACE and DPP-IV inhibitory activity. The results showed that sheep milk proteins have the potential to be a source of antidiabetic and hypotensive peptides.
An in silico approach was used for hydrolysis of sheep milk proteins (alpha-s1, alpha-s2, beta-casein, kappa-Cn, alpha-lactalbumin, and beta-lactoglobulin) by gastrointestinal enzymes in order to generate bioactive peptides (BAPs) that can inhibit ACE and DPP-IV. Sheep milk proteins showed higher similarity with goat milk proteins. These data were acquired via the Clustal Omega tool to perform sequence alignment analysis. The BIOPEP-UWM database was used to examine the ability of sheep milk protein sequences to generate BAPs, which included a description of their potential bioactivity as well as the frequency of fragments with specified activities. Using the Enzyme(s) action tool (BIOPEP-UWM), digestive enzymes pepsin, trypsin, and chymotrypsin, and three enzyme combinations were selected to computationally hydrolyze milk proteins for obtaining information about ACE and DPP-IV inhibitory peptides. Other online programs were used to test potential peptides for bioactivity, toxicity, and physicochemical properties. BAPs produced from PTC-hydrolyzed proteins were analyzed using a peptide ranker, and their inhibitory effects on ACE and DPP-IV were determined using molecular docking. Consequently, the results of molecular docking analysis show that the peptide PSGAW (alpha S1-Cn f155-159) binds to DPP-IV with binding energy (-8.9 kcal/mol). But in the case of ACE, two potential BAPs were selected: QPPQPL (beta-Cn f161-166) and PSGAW. These two BAPs revealed a higher binding affinity for ACE with a binding energy of -9.8 kcal/mol. Thus, the results showed that sheep milk proteins were a promising source of antidiabetic and hypotensive peptides. However, experimental and pre-clinical studies are necessary to assay their therapeutic effects. Practical applications Sheep milk proteins are known as a high-quality milk protein resource. Effective enzymatic hydrolysis of sheep milk proteins can release bioactive peptides and also release potential ACE and DPP-IV inhibitory peptides. This in silico study specifies a theoretical root for sheep milk proteins as a novel source of potential bioactive peptides and may offer guidance for invitro hydrolysis of proteins for the production of bioactive peptides valuable for human consumption.

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