Molecular interaction assays in silico of crotapotin from Crotalus durissus terrificus against the molecular target trypanothione reductase from Leishmania braziliensis
The <i>in silico</i> findings suggest a stable and structured interaction between crotapotin and LbTR, with low structural fluctuation, although the inhibition observed in <i>in vitro</i> assays was moderate. These results indicate the potential of crotapotin as a promising basis for developing specific LbTR inhibitors, contributing to the bioprospecting of new antiparasitic agents.
Authors
- Anderson M. Kayano (ORCID: https://orcid.org/0000-0003-4418-7850)
- Jamile Mariano Macedo (ORCID: https://orcid.org/0000-0002-9420-6282)
- Áleff Ferreira Francisco (ORCID: https://orcid.org/0000-0002-6492-5729)
- Anderson Maciel de Lima
- Andreimar M. Soares (ORCID: https://orcid.org/0000-0003-1032-2188)
- Juliana Pavan Zuliani (ORCID: https://orcid.org/0000-0001-9221-7749)
- Marcos R.M. Fontes (ORCID: https://orcid.org/0000-0002-4634-6221)
- Erika Crhistina Santos de Araújo (ORCID: https://orcid.org/0000-0002-1928-9196)
- M. F. V. Souza (ORCID: https://orcid.org/0000-0001-5834-3389)
- Maria Elisabeth Moreira de Lima Gusmão
Institutions
- Instituto Federal de Educação, Ciência e Tecnologia de Rondônia (BR)
- Fundação Oswaldo Cruz (BR)
- Universidade Federal do Pará (BR)
- Universidade Estadual Paulista (Unesp) (BR)
Publication Details
- Journal
- The Journal of venomous animals and toxins including tropical diseases
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1590/1678-9199-jvatitd-2024-0049
- Primary Topic
- Research on Leishmaniasis Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
- Conselho Nacional de Desenvolvimento Científico e Tecnológico