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Identification of Potential Peptide Inhibitors of ACE-2 Target of SARS-CoV-2 from Buckwheat & Quinoa

Authors
  • Rangaswamy, Ashok Nanjaiah1
  • Ashok, Arpitha1
  • Hanumanthappa, Pradeep1
  • Chandrashekaramurthy, Aparanji Sinduvall...1
  • Kumbaiah, Monika1
  • Hiregouda, Pratibha1
  • Sharma, Vaishali1
  • Sosalegowda, Aparna Huligerepura1
  • 1 University of Mysore,
Type
Published Article
Journal
International Journal of Peptide Research and Therapeutics
Publisher
Springer-Verlag
Publication Date
Apr 08, 2021
Pages
1–15
Identifiers
DOI: 10.1007/s10989-021-10211-1
PMID: 33850482
PMCID: PMC8030649
Source
PubMed Central
Keywords
Disciplines
  • Article
License
Unknown

Abstract

It is well established fact that peptides from various foods offer human health benefits displaying diverse functionalities. Millets considered as super foods is a major alternative in recent days for traditional diet being rich in proteins and fibre along with trace minerals and vitamins. In this connection, proteins from Buckwheat and Quinoa were digested by in vitro simulation digestion for the generation of peptides, analyzed by nLC-MS/MS and the functional annotations of the identified proteins/peptides were carried out. The study led to the identification of 34 small peptides and their parent proteins clustered into 4 gene functional groups and their localization prediction indicated their involvement in energy metabolism, transport and storage. Interestingly, the identified peptides maximally displayed DPP-IV and ACE inhibitions. The present study was extended to unravel ACE-2 inhibition targeting COVID-19 by selecting ACE-2-Spike binding domain for molecular docking studies. The NWRTVKYG interacted with the ACE-2-Spike interface displaying the feasible binding energy (− 213.63) and docking score (− 12.43) and the MD simulation revealed the ability of the peptide in stabilizing the protein-peptide composite. The present investigation thus establishes newer vista for food derived peptides having ACE-2 inhibitory potential as tentative strategy for SARS-CoV-2 therapeutics.

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