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2026
article
OpenAlex
Thibault Joseph William Jacques Dit Lapierre, Daniela de Melo Resende, Felipe da Silva Mendonça de Melo, Alexandra Maria dos Santos Carvalho et autres
This work describes the hit-to-lead optimization of the 2-ethyl-4-phenylthiazole class against Trypanosoma cruzi, the causative agent of Chagas disease. Compound LC-6 (1), previously identified in silico and in vitro against epimastigotes, was confirmed here as an antichagasic hit due to its sub-micromolar …
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Accès ouvert
2026
article
OpenAlex
César Augusto Prías-Márquez, E.S.F. Alves, Carlos José Correia de Santana, Osmindo Rodrigues Pires Júnior et autres
A novel ocellatin-P1 isoform was isolated and purified from the skin secretion of the pepper frog Leptodactylus labyrinthicus. The crude skin secretion was fractionated by reversed-phase high-performance liquid chromatography (RP-HPLC) using a C8 column and the peptide was subsequently purified on a …
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Accès ouvert
2026
article
OpenAlex
Rodolpho de Campos Braga, Alexandra Mariados Santos Carvalho, Bruno Junior Neves, Clarissa AlvesCarneiro Bernardes et autres
Visceral leishmaniasis caused by Leishmania infantum remains a lethal disease with few therapeutic options, necessitating innovative computational methods and approaches to accelerate drug discovery. Here, we present a graph neural network (GNN) framework incorporating well-established multiscale mechanisms to improve the identification of …
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Accès ouvert
2026
article
OpenAlex
Vinícius Alexandre Fiaia Costa, Alexandra Maria dos Santos Carvalho, Rafael Consolin Chelucci, Felipe da Silva Mendonça de Melo et autres
High Resolution Image Download MS PowerPoint Slide Visceral leishmaniasis caused by Leishmania infantum remains a lethal disease with few therapeutic options, necessitating innovative computational methods and approaches to accelerate drug discovery. Here, we present a graph neural network (GNN) framework incorporating well-established …
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