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In vitro and in silico evaluation of the anti-leishmania activity of synthetic chalcones.
Leite, Fernando Ferreira; Rodrigues, Luis Cezar; Oliveira, Bruno Hanrry Melo de; Duarte, Gabrielly Diniz; Leite Ferreira, Maria Denise; Sousa, Natália Ferreira de; Vanderley, Shayenne Eduarda Ramos; Cardoso, Leonardo Lima; Keesen, Tatjana Souza Lima; Araújo, Rodrigo Santos Aquino de; Scotti, Luciana; Scotti, Marcus Tullius; Mendonça-Junior, Francisco Jaime Bezerra.
Afiliación
  • Leite FF; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Rodrigues LC; Postgraduate Program in Development and Innovation of Drugs and Medicines, Federal University of Paraíba, João Pessoa, Brazil.
  • Oliveira BHM; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Duarte GD; Postgraduate Program in Development and Innovation of Drugs and Medicines, Federal University of Paraíba, João Pessoa, Brazil.
  • Leite Ferreira MD; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Sousa NF; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Vanderley SER; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Cardoso LL; Laboratory of Infectious Disease Immunology of the Department of Cellular and Molecular Biology, Federal University of Paraíba, João Pessoa, PB, Brazil.
  • Keesen TSL; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Araújo RSA; Laboratory of Infectious Disease Immunology of the Department of Cellular and Molecular Biology, Federal University of Paraíba, João Pessoa, PB, Brazil.
  • Scotti L; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
  • Scotti MT; Laboratory of Infectious Disease Immunology of the Department of Cellular and Molecular Biology, Federal University of Paraíba, João Pessoa, PB, Brazil.
  • Mendonça-Junior FJB; Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraíba, João Pessoa, Brazil.
Nat Prod Res ; : 1-12, 2024 Sep 11.
Article en En | MEDLINE | ID: mdl-39257335
ABSTRACT
Leishmaniasis is a group of neglected, vector-borne infectious diseases that affect millions of people around the world. The medications available for its treatment, especially in cases of visceral leishmaniasis, are old, outdated and have serious side effects. In this work, 10 chalcones were synthesised and evaluated in vitro against promastigotes and axenic amastigotes of Leishmania infantum. Compounds CP04 and CP06 were the most promising, respectively presenting IC50 values = 13.64 ± 0.25 and 11.19 ± 0.22 µM against promastigotes, and IC50 = 18.92 ± 0.05 and 22.42 ± 0.05 µM against axenic amastigotes. Only compound CP04 did not show cytotoxicity against peripheral blood mononuclear cells (PBMCs). Molecular docking studies conducted with sterol 14-alpha demethylase (CYP-51) (PDB 3L4D) and trypanothione reductase (PDB 5EBK) enzymes from L. infantum evidenced the great affinity of compound CP04 for these targets, presenting Moldock score values of -94.0758 and -50.5692 KJ/mol-1.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nat Prod Res Año: 2024 Tipo del documento: Article País de afiliación: Brasil Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nat Prod Res Año: 2024 Tipo del documento: Article País de afiliación: Brasil Pais de publicación: Reino Unido