Prospecting in silico antibacterial activity of a peptide from trypsin inhibitorisolated from tamarind seed

Página do item simplificado Estatísticas
dc.contributor.authorPassos, Thais Souza
dc.contributor.authorOliveira, Gerciane Silva de
dc.contributor.authorNascimento, Amanda Maria de Souza
dc.contributor.authorLuz,Anna Beatriz Santana
dc.contributor.authorAguiar, Ana Júlia Felipe Camelo
dc.contributor.authorLima, Mayara Santa Rosa
dc.contributor.authorMatias, Lídia Leonize Rodrigues
dc.contributor.authorAmado, Isabel Rodríguez
dc.contributor.authorDamasceno, Karla Suzane Florentino da Silva Chaves
dc.contributor.authorMonteiro, Norberto de Kássio Vieira
dc.contributor.authorMoreira, Susana Margarida Gomes
dc.contributor.authorPastrana, Lorenzo
dc.contributor.authorMorais, Ana Heloneida de Araújo
dc.contributor.authorIDhttps://orcid.org/0000-0003-2054-1544
dc.contributor.authorIDhttps://orcid.org/0000-0002-5847-5733
dc.contributor.authorIDhttps://orcid.org/0000-0002-6460-911X
dc.date.accessioned2025-06-06T20:28:42Z
dc.date.available2025-06-06T20:28:42Z
dc.date.issued2022-08-28
dc.description.resumoBacterial infections have become a global concern, stimulating the growing demand for natural and bio-logically safe therapeutic agents with antibacterial action. This study was evaluated the genotoxicity ofthe trypsin inhibitor isolated from tamarind seeds (TTI) and the antibacterial effect of TTI theoric model,number 56, and conformation number 287 (TTIp 56/287) and derived peptides in silico. TTI (0.3 and0.6 mg.mL 1 ) did not cause genotoxicity in cells (p > 0.05). In silico, a greater interaction of TTIp 56/287with the Gram-positive membrane (GP) was observed, with an interaction potential energy (IPE) of -1094.97 kcal.mol-1 . In the TTIp 56/287-GP interaction, the Arginine, Threonine (Thr), and Lysine residuespresented lower IPE. In molecular dynamics (MD), Peptidotrychyme59 (TVSQTPIDIPIGLPVR) showed an IPEof -518.08 kcal.mol-1 with the membrane of GP bacteria, and the Thr and Arginine residues showed thegreater IPE. The results highlight new perspectives on TTI and its derived peptides antibacterial activity
dc.identifier.citationOLIVEIRA, Gerciane Silva de; NASCIMENTO, Amanda Maria de Souza; LUZ, Anna Beatriz Santana; AGUIAR, Ana Júlia Felipe Camelo; LIMA, Mayara Santa Rosa; MATIAS, Lídia Leonize Rodrigues; AMADO, Isabel Rodríguez; PASSOS, Thais Souza; DAMASCENO, Karla Suzane Florentino da Silva Chaves; MONTEIRO, Norberto de Kássio Vieira. MOREIRA, Susana Margarida Gomes; PASTRANA, Lorenzo; MORAIS, Ana Heloneida de Araújo. Prospecting in silico antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed. Journal of Enzyme Inhibition and Medicinal Chemistry, [S.l.], v. 38, n. 1, p. 67-83, 28 out. 2022. DOI 10.1080/14756366.2022.2134997. Disponível em: https://www.tandfonline.com/doi/full/10.1080/14756366.2022.2134997. Acesso em: 19 jul. 2024.
dc.identifier.otherDOI 10.1080/14756366.2022.2134997
dc.identifier.urihttps://repositorio.ufrn.br/handle/123456789/63856
dc.language.isoen_US
dc.publisherJournal of Enzyme Inhibition and Medicinal Chemistry
dc.rightsAttribution 3.0 Brazilen
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/br/
dc.subjectProtease inhibitor
dc.subjectAntimicrobial peptides
dc.subjectMolecular dynamics simulation
dc.titleProspecting in silico antibacterial activity of a peptide from trypsin inhibitorisolated from tamarind seed
dc.typearticle

Arquivos

Pacote Original

Agora exibindo 1 - 1 de 1
Nenhuma Miniatura disponível
Nome:
ProspectigSilicoAntibacterial_Passos_2022.pdf
Tamanho:
3.82 MB
Formato:
Adobe Portable Document Format
Nenhuma Miniatura disponível
Baixar

Licença do Pacote

Agora exibindo 1 - 1 de 1
Nenhuma Miniatura disponível
Nome:
license.txt
Tamanho:
1.53 KB
Formato:
Item-specific license agreed upon to submission
Nenhuma Miniatura disponível
Baixar

Coleções

CCS - DNUT - Artigos publicados em periódicos
Repositório Institucional - UFRN Campus Universitário Lagoa NovaCEP 59078-970 Caixa postal 1524 Natal/RN - BrasilUniversidade Federal do Rio Grande do Norte© Copyright 2025. Todos os direitos reservados.
Contato+55 (84) 3342-2260 - R232Setor de Repositórios Digitaisrepositorio@bczm.ufrn.br
DSpaceIBICT
OasisBR
LAReferencia
Customizado pela CAT - BCZM