Potential chimeric peptides to block the SARS-CoV-2 Spike RBD

Detalhes bibliográficos
Autor(a) principal: Barh, Debmalya
Data de Publicação: 2020
Outros Autores: Tiwari, Sandeep, Andrade, Bruno Silva, Giovanetti, Marta, Kumavath, Ranjith, Ghosh, Preetam, Góes Neto, Aristóteles, Alcantara, Luiz Carlos Junior, Azevedo, Vasco
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
DOI: 10.20944/preprints202004.0347.v1
Texto Completo: https://www.arca.fiocruz.br/handle/icict/42417
Resumo: Institute of Integrative Omics and Applied Biotechnology (IIOAB). Nonakuri, Purba Medinipur, WB, India.
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spelling Barh, DebmalyaTiwari, SandeepAndrade, Bruno SilvaGiovanetti, MartaKumavath, RanjithGhosh, PreetamGóes Neto, AristótelesAlcantara, Luiz Carlos JuniorAzevedo, Vasco2020-07-27T21:16:37Z2020-07-27T21:16:37Z2020BARH, Debmalya et al. Potential chimeric peptides to block the SARS-CoV-2 Spike RBD. Preprints, p. 1-11, Apr. 2020.https://www.arca.fiocruz.br/handle/icict/4241710.20944/preprints202004.0347.v1engCOVID-19SARS-CoV-2nCoV-19Peptídeos antiviraisAntiviral peptidesCOVID-19SARS-CoV-2nCoV-19Peptide designACE2Spike proteinPotential chimeric peptides to block the SARS-CoV-2 Spike RBDinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleInstitute of Integrative Omics and Applied Biotechnology (IIOAB). Nonakuri, Purba Medinipur, WB, India.Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Biologia Geral. Laboratório de Genética Celular e Molecular. Belo Horizonte, MG, Brasil.Universidade Estadual do Sudoeste da Bahia. Departamento de Ciências Biológicas. Laboratório de Bioinformática e Química Computacional. Jequié, BA, Brasil.Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Biologia Geral. Laboratório de Genética Celular e Molecular. Belo Horizonte, MG, Brasil / Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Flavivírus. Rio de Janeiro, RJ, Brasil.Central University of Kerala. Kerala 671316 India.Virginia Commonwealth University. Department of Computer Science. Richmond, VA, USA.Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Microbiologia. Laboratório de Biologia Molecular e Computacional de Fungos. Belo Horizonte, MG, Brasil.Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Biologia Geral. Laboratório de Genética Celular e Molecular. Belo Horizonte, MG, Brasil / Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Flavivírus. Rio de Janeiro, RJ, Brasil.Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Biologia Geral. Laboratório de Genética Celular e Molecular. Belo Horizonte, MG, Brasil.There are no known medicines or vaccines to control the COVID-19 pandemic caused by SARS-CoV-2 (nCoV). Antiviral peptides are superior to conventional drugs and may also be effective against COVID-19. Hence, we investigated the SARS-CoV-2 Spike RBD (nCoV-RBD) that interacts with hACE2 for viral attachment and entry. Methods: Three strategies and bioinformatics approaches were employed to design potential nCoV-RBD - hACE2 interaction-blocking peptides that may restrict viral attachment and entry. Firstly, the key residues interacting with nCoV-RBD - hACE2 are identified and hACE2 sequence based peptides are designed. Second, peptides from five antibacterial peptide databases that block nCoV-RBD are identified; finally, a chimeric peptide design approach is used to design peptides that can bind to key nCoV-RBD residues. The final peptides are selected based on their physiochemical properties, numbers and positions of key residues binding, binding energy, and antiviral properties. Results: We found (i) three amino acid stretches in hACE2 interact with nCoV-RBD; (ii) effective peptides must bind to three key positions of nCoV-RBD: Gly485/Phe486/Asn487, Gln493, and Gln498/Thr500/Asn501; (iii) Phe486, Gln493, and Asn501 are critical residues; (iv) AC20 and AC23 derived from hACE2 may block two key critical positions; (iv) DBP6 identified from databases can block the three sites of the nCoV-RBD interacting with one critical position Gln498; (v) seven chimeric peptides were considered promising among which cnCoVP-3, cnCoVP-4, and cnCoVP-7 are the top three; and (vi) cnCoVP-4 meets all the criteria and is the best peptide.info:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; 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dc.title.pt_BR.fl_str_mv Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
title Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
spellingShingle Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
Barh, Debmalya
COVID-19
SARS-CoV-2
nCoV-19
Peptídeos antivirais
Antiviral peptides
COVID-19
SARS-CoV-2
nCoV-19
Peptide design
ACE2
Spike protein
title_short Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
title_full Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
title_fullStr Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
title_full_unstemmed Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
title_sort Potential chimeric peptides to block the SARS-CoV-2 Spike RBD
author Barh, Debmalya
author_facet Barh, Debmalya
Tiwari, Sandeep
Andrade, Bruno Silva
Giovanetti, Marta
Kumavath, Ranjith
Ghosh, Preetam
Góes Neto, Aristóteles
Alcantara, Luiz Carlos Junior
Azevedo, Vasco
author_role author
author2 Tiwari, Sandeep
Andrade, Bruno Silva
Giovanetti, Marta
Kumavath, Ranjith
Ghosh, Preetam
Góes Neto, Aristóteles
Alcantara, Luiz Carlos Junior
Azevedo, Vasco
author2_role author
author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Barh, Debmalya
Tiwari, Sandeep
Andrade, Bruno Silva
Giovanetti, Marta
Kumavath, Ranjith
Ghosh, Preetam
Góes Neto, Aristóteles
Alcantara, Luiz Carlos Junior
Azevedo, Vasco
dc.subject.other.pt_BR.fl_str_mv COVID-19
SARS-CoV-2
nCoV-19
Peptídeos antivirais
topic COVID-19
SARS-CoV-2
nCoV-19
Peptídeos antivirais
Antiviral peptides
COVID-19
SARS-CoV-2
nCoV-19
Peptide design
ACE2
Spike protein
dc.subject.en.pt_BR.fl_str_mv Antiviral peptides
COVID-19
SARS-CoV-2
nCoV-19
Peptide design
ACE2
Spike protein
description Institute of Integrative Omics and Applied Biotechnology (IIOAB). Nonakuri, Purba Medinipur, WB, India.
publishDate 2020
dc.date.accessioned.fl_str_mv 2020-07-27T21:16:37Z
dc.date.available.fl_str_mv 2020-07-27T21:16:37Z
dc.date.issued.fl_str_mv 2020
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv BARH, Debmalya et al. Potential chimeric peptides to block the SARS-CoV-2 Spike RBD. Preprints, p. 1-11, Apr. 2020.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/42417
dc.identifier.doi.none.fl_str_mv 10.20944/preprints202004.0347.v1
identifier_str_mv BARH, Debmalya et al. Potential chimeric peptides to block the SARS-CoV-2 Spike RBD. Preprints, p. 1-11, Apr. 2020.
10.20944/preprints202004.0347.v1
url https://www.arca.fiocruz.br/handle/icict/42417
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv reponame:Repositório Institucional da FIOCRUZ (ARCA)
instname:Fundação Oswaldo Cruz (FIOCRUZ)
instacron:FIOCRUZ
instname_str Fundação Oswaldo Cruz (FIOCRUZ)
instacron_str FIOCRUZ
institution FIOCRUZ
reponame_str Repositório Institucional da FIOCRUZ (ARCA)
collection Repositório Institucional da FIOCRUZ (ARCA)
bitstream.url.fl_str_mv https://www.arca.fiocruz.br/bitstream/icict/42417/1/license.txt
https://www.arca.fiocruz.br/bitstream/icict/42417/2/LuizCJunior_VascoAzevedo_etal_IOC_2020.pdf
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