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An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach

The outbreak of the novel coronavirus (COVID-19) has affected millions of lives and it is one of the deadliest viruses ever known and the effort to find a cure for COVID-19 has been very high. The purpose of the study was to investigate the anti-COVID effect from the peptides derived from microalgae...

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Autores principales: MubarakAli, Davoodbasha, MohamedSaalis, Jaulikar, Sathya, Raghunathan, Irfan, Navabshan, Kim, Jung-Wan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8436434/
https://www.ncbi.nlm.nih.gov/pubmed/34530072
http://dx.doi.org/10.1016/j.micpath.2021.105189
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author MubarakAli, Davoodbasha
MohamedSaalis, Jaulikar
Sathya, Raghunathan
Irfan, Navabshan
Kim, Jung-Wan
author_facet MubarakAli, Davoodbasha
MohamedSaalis, Jaulikar
Sathya, Raghunathan
Irfan, Navabshan
Kim, Jung-Wan
author_sort MubarakAli, Davoodbasha
collection PubMed
description The outbreak of the novel coronavirus (COVID-19) has affected millions of lives and it is one of the deadliest viruses ever known and the effort to find a cure for COVID-19 has been very high. The purpose of the study was to investigate the anti-COVID effect from the peptides derived from microalgae. The peptides from microalgae exhibit antimicrobial, anti-allergic, anti-hypersensitive, anti-tumor and immune-modulatory properties. In the In silico study, 13 cyanobacterial specific peptides were retrieved based on the extensive literature survey and their structures were predicted using Discovery Studios Visualizer. The spike protein of the novel COVID19 was retrieved from PDB (6LU7) and further molecular docking was done with the peptides through CDOCKER. The five peptides were bound clearly to the spike protein (SP) and their inhibitory effect towards the SP was promising among 13 peptides were investigated. Interestingly, LDAVNR derived from S.maxima have excellent binding and interaction energy showed −113.456 kcal/mol and −71.0736 kcal/mol respectively to target SP of COVID. The further investigation required for the in vitro confirmation of anti-COVID from indigenous microalgal species for the possible remedy in the pandemic.
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spelling pubmed-84364342021-09-13 An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach MubarakAli, Davoodbasha MohamedSaalis, Jaulikar Sathya, Raghunathan Irfan, Navabshan Kim, Jung-Wan Microb Pathog Article The outbreak of the novel coronavirus (COVID-19) has affected millions of lives and it is one of the deadliest viruses ever known and the effort to find a cure for COVID-19 has been very high. The purpose of the study was to investigate the anti-COVID effect from the peptides derived from microalgae. The peptides from microalgae exhibit antimicrobial, anti-allergic, anti-hypersensitive, anti-tumor and immune-modulatory properties. In the In silico study, 13 cyanobacterial specific peptides were retrieved based on the extensive literature survey and their structures were predicted using Discovery Studios Visualizer. The spike protein of the novel COVID19 was retrieved from PDB (6LU7) and further molecular docking was done with the peptides through CDOCKER. The five peptides were bound clearly to the spike protein (SP) and their inhibitory effect towards the SP was promising among 13 peptides were investigated. Interestingly, LDAVNR derived from S.maxima have excellent binding and interaction energy showed −113.456 kcal/mol and −71.0736 kcal/mol respectively to target SP of COVID. The further investigation required for the in vitro confirmation of anti-COVID from indigenous microalgal species for the possible remedy in the pandemic. Elsevier Ltd. 2021-11 2021-09-13 /pmc/articles/PMC8436434/ /pubmed/34530072 http://dx.doi.org/10.1016/j.micpath.2021.105189 Text en © 2021 Elsevier Ltd. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
MubarakAli, Davoodbasha
MohamedSaalis, Jaulikar
Sathya, Raghunathan
Irfan, Navabshan
Kim, Jung-Wan
An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
title An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
title_full An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
title_fullStr An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
title_full_unstemmed An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
title_short An evidence of microalgal peptides to target spike protein of COVID-19: In silico approach
title_sort evidence of microalgal peptides to target spike protein of covid-19: in silico approach
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8436434/
https://www.ncbi.nlm.nih.gov/pubmed/34530072
http://dx.doi.org/10.1016/j.micpath.2021.105189
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