Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors (2021)
- Authors:
- USP affiliated authors: SOUZA, ROBSON FRANCISCO DE - ICB ; CARVALHO, CRISTIANE RODRIGUES GUZZO - ICB ; SOUZA, ANACLETO SILVA DE - ICB
- Unidade: ICB
- DOI: 10.1080/07391102.2021.1958700
- Subjects: MICROBIOLOGIA; COVID-19; REPLICAÇÃO VIRAL; MEDICAMENTO; REDES NEURAIS; ANGIOTENSINA II; INIBIDORES DE ENZIMAS; ATIVAÇÃO ENZIMÁTICA
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Journal of Biomolecular Structure & Dynamics
- ISSN: 1538-0254
- Volume/Número/Paginação/Ano: p. 1-18, 2021
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
SOUZA, Anacleto Silva de e SOUZA, Robson Francisco de e GUZZO, Cristiane Rodrigues. Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors. Journal of Biomolecular Structure & Dynamics, p. 1-18, 2021Tradução . . Disponível em: https://doi.org/10.1080/07391102.2021.1958700. Acesso em: 28 dez. 2025. -
APA
Souza, A. S. de, Souza, R. F. de, & Guzzo, C. R. (2021). Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors. Journal of Biomolecular Structure & Dynamics, 1-18. doi:10.1080/07391102.2021.1958700 -
NLM
Souza AS de, Souza RF de, Guzzo CR. Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors [Internet]. Journal of Biomolecular Structure & Dynamics. 2021 ; 1-18.[citado 2025 dez. 28 ] Available from: https://doi.org/10.1080/07391102.2021.1958700 -
Vancouver
Souza AS de, Souza RF de, Guzzo CR. Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors [Internet]. Journal of Biomolecular Structure & Dynamics. 2021 ; 1-18.[citado 2025 dez. 28 ] Available from: https://doi.org/10.1080/07391102.2021.1958700 - Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1)
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Informações sobre o DOI: 10.1080/07391102.2021.1958700 (Fonte: oaDOI API)
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