Título:	Computer-aided design of Plasmodium chabaudi-derived peptides with dual antibiofilm and anti-inflammatory activities.
Autoria:	OROZCO, R. M. Q. SANTOS, A. D. O. ROSSETTO, J. P. MADALOZZO, E. S. LUCHI, L. V. REZENDE, S. B. CHAN, L. Y. BUCCINI, D. F. MACEDO, M. L. R. REIS, A. M. dos CRAIK, D. J. FRANCO, O. L. CARDOSO, M. H.
Afiliação:	RAQUEL M. QUIGUA OROZCO, UNIVERSIDADE CATÓLICA DOM BOSCO; ALEXANDRE D. O. SANTOS, UNIVERSIDADE CATÓLICA DOM BOSCO; JOELMA P. ROSSETTO, UNIVERSIDADE CATÓLICA DOM BOSCO; ELISÂNGELA S. MADALOZZO, UNIVERSIDADE FEDERAL DE MATO GROSSO DO SUL (UFMS); LÍVIA V. LUCHI, UNIVERSIDADE CATÓLICA DOM BOSCO; SAMILLA B. REZENDE, UNIVERSIDADE CATÓLICA DOM BOSCO; LAI YUE CHAN, THE UNIVERSITY OF QUEENSLAND; DANIELI F. BUCCINI, UNIVERSIDADE CATÓLICA DOM BOSCO; MARIA L. R. MACEDO, UNIVERSIDADE FEDERAL DE MATO GROSSO DO SUL; ANGELA MEHTA DOS REIS, CENARGEN; DAVID J. CRAIK, THE UNIVERSITY OF QUEENSLAND; OCTÁVIO L. FRANCO, UNIVERSIDADE CATÓLICA DOM BOSCO; MARLON H. CARDOSO, UNIVERSIDADE CATÓLICA DOM BOSCO.
Ano de publicação:	2026
Referência:	ACS Medicinal Chemistry Letters, v. 17, n. 5, p. 1057–1066, 2026.
Conteúdo:	Advances in computational design have greatly accelerated antimicrobial peptide engineering. In this study, three Plasmodium chabaudi-derived peptides (PcDBS1R1, PcDBS1R5, and PcDBS1R9), generated using the Joker computational design algorithm, were synthesized and characterized for their structural and functional properties. Biophysical analyses revealed that PcDBS1R5 and PcDBS1R9 predominantly adopted α-helical structures with high amphipathicity, whereas PcDBS1R1 exhibited greater structural plasticity. PcDBS1R5 and PcDBS1R9 displayed antibacterial activity against an Acinetobacter baumannii clinical isolate, whereas PcDBS1R1 showed pronounced antibiofilm effects. None of the peptides exhibited cytotoxicity toward murine macrophages, and all significantly reduced nitric oxide production in lipopolysaccharide-stimulated macrophages, suggesting potential anti-inflammatory activity. Overall, these findings demonstrate that computer-aided design of P. chabaudi-derived peptides can yield molecules with antibiofilm, and immunomodulatory properties, minimal cytotoxicity, and promising therapeutic potential as scaffolds for next-generation peptide-based treatments targeting biofilm-associated bacterial infections.
NAL Thesaurus:	Antimicrobial peptides
Palavras-chave:	Biofilm inhibition Immunomodulatory activity Drug design
Digital Object Identifier:	https://doi.org/10.1021/acsmedchemlett.6c00007
Notas:	Na publicação: Angela Mehta.
Tipo do material:	Artigo de periódico
Acesso:	openAccess
Aparece nas coleções:	Artigo em periódico indexado (CENARGEN)