| Author | Barh, Debmalya | |
| Author | Tiwari, Sandeep | |
| Author | Andrade, Bruno Silva | |
| Author | Giovanetti, Marta | |
| Author | Kumavath, Ranjith | |
| Author | Ghosh, Preetam | |
| Author | Góes Neto, Aristóteles | |
| Author | Alcantara, Luiz Carlos Junior | |
| Author | Azevedo, Vasco | |
| Access date | 2020-07-27T21:16:37Z | |
| Available date | 2020-07-27T21:16:37Z | |
| Document date | 2020 | |
| Citation | BARH, Debmalya et al. Potential chimeric peptides to block the SARS-CoV-2 Spike RBD. Preprints, p. 1-11, Apr. 2020. | |
| URI | https://www.arca.fiocruz.br/handle/icict/42417 | |
| Language | eng | en_US |
| Rights | open access | |
| Subject in Portuguese | COVID-19 | pt_BR |
| Subject in Portuguese | SARS-CoV-2 | pt_BR |
| Subject in Portuguese | nCoV-19 | pt_BR |
| Subject in Portuguese | Peptídeos antivirais | pt_BR |
| Title | Potential chimeric peptides to block the SARS-CoV-2 Spike RBD | en_US |
| Type | Preprint | |
| DOI | 10.20944/preprints202004.0347.v1 | |
| Abstract | 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. | en_US |
| Affilliation | Institute of Integrative Omics and Applied Biotechnology (IIOAB). Nonakuri, Purba Medinipur, WB, India. | |
| Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Biologia Geral. Laboratório de Genética Celular e Molecular. Belo Horizonte, MG, Brasil. | |
| Affilliation | Universidade Estadual do Sudoeste da Bahia. Departamento de Ciências Biológicas. Laboratório de Bioinformática e Química Computacional. Jequié, BA, Brasil. | |
| Affilliation | 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. | |
| Affilliation | Central University of Kerala. Kerala 671316 India. | |
| Affilliation | Virginia Commonwealth University. Department of Computer Science. Richmond, VA, USA. | |
| Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Microbiologia. Laboratório de Biologia Molecular e Computacional de Fungos. Belo Horizonte, MG, Brasil. | |
| Affilliation | 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. | |
| Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Biológicas. Departamento de Biologia Geral. Laboratório de Genética Celular e Molecular. Belo Horizonte, MG, Brasil. | |
| Subject | Antiviral peptides | en_US |
| Subject | COVID-19 | en_US |
| Subject | SARS-CoV-2 | en_US |
| Subject | nCoV-19 | en_US |
| Subject | Peptide design | en_US |
| Subject | ACE2 | en_US |
| Subject | Spike protein | en_US |
