Prospecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds

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dc.contributor.authorMorais, Ana Heloneida de Araújo
dc.contributor.authorLuz, Anna Beatriz Santana
dc.contributor.authorMedeiros, Amanda Fernandes de
dc.contributor.authorBezerra, Lucas Lima
dc.contributor.authorLima, Mayara Santa Rosa
dc.contributor.authorPereira, Annemberg Salvino
dc.contributor.authorSilva, Emilly Guedes Oliveira e
dc.contributor.authorPassos, Thais Souza
dc.contributor.authorMonteiro, Norberto de Kassio Vieira
dc.contributor.authorIDhttps://orcid.org/0000-0002-6460-911Xpt_BR
dc.date.accessioned2023-07-10T20:28:26Z
dc.date.available2023-07-10T20:28:26Z
dc.date.issued2023
dc.description.resumoThe study aimed to prospect in silico native and analogous peptides with anti-SARS CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds (TTIp). From the most stable theoretical model of TTIp (TTIp 56/287), in silico cleavage was performed for the theoretical identification of native peptides and generation of analogous peptides. The anti SARS-CoV-2 potential was investigated through molecular dynamics (MD) simulation between the peptides and binding sites of transmembrane serine protease 2 (TMPRSS2), responsible for the entry of SARS-CoV-2 into the host cell. Five native and analogous peptides were obtained and validated through chemical and physical parameters. The best interaction potential energy (IPE) occurred between TMPRSS2 and one of the native peptides obtained by cleavage with trypsin and its analogous peptide. Thus, both peptides showed many hydrophobic residues, a common physical–chemical property among the peptides that inhibit the entry of enveloped viruses, such as SARS-CoV-2, present in specific drugs to treat COVID-19pt_BR
dc.identifier.citationLUZ, Anna Beatriz Santana et al. Prospecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds. Arabian Journal of Chemistry, p. 104886, 2023.pt_BR
dc.identifier.doihttps://doi.org/10.1016/j.arabjc.2023.104886
dc.identifier.urihttps://repositorio.ufrn.br/handle/123456789/53209
dc.languageenpt_BR
dc.publisherElsevierpt_BR
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Brazil*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/br/*
dc.subjectSARS-CoV-2pt_BR
dc.subjectpeptidespt_BR
dc.subjectantitrypsin activitypt_BR
dc.subjectCOVID-19pt_BR
dc.subjectProteinpt_BR
dc.subjectplant bioactive compoundspt_BR
dc.titleProspecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seedspt_BR
dc.typearticlept_BR

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