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

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

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 c...

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Published in:International journal of peptide research and therapeutics Vol. 27; no. 3; pp. 1799 - 1813
Main Authors: Rangaswamy, Ashok Nanjaiah, Ashok, Arpitha, Hanumanthappa, Pradeep, Chandrashekaramurthy, Aparanji Sinduvalli, Kumbaiah, Monika, Hiregouda, Pratibha, Sharma, Vaishali, Sosalegowda, Aparna Huligerepura
Format: Journal Article
Language:English
Published: Dordrecht Springer Netherlands 01-09-2021
Springer Nature B.V
Subjects:
Animal Anatomy
Biochemistry
Biomedical and Life Sciences
COVID-19
Energy metabolism
Histology
Life Sciences
Localization
Minerals
Molecular Medicine
Morphology
Peptide inhibitors
Peptides
Pharmaceutical Sciences/Technology
Pharmacology/Toxicology
Polymer Sciences
Proteins
Severe acute respiratory syndrome coronavirus 2
Vitamins
Functional annotation
Molecular dynamics
ACE-2
Peptides
nLC-MS/MS
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Summary: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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ISSN:1573-3149
1573-3904
DOI:10.1007/s10989-021-10211-1