S-allylCysteine Ester/Caffeic Acid Amide Hybrids as Promising Antiprotozoal Candidates: Synthesis, Biological Evaluation and Molecular Modeling Studies
Braz. J. Pharm. Sci. (Online)
; 58: e20822, 2022. tab, graf
Article
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LILACS-Express
| LILACS
| ID: biblio-1420404
Responsable en Bibliothèque :
BR1.1
ABSTRACT
Abstract In order to overcome the challenges of discovering new antiprotozoal drugs, we synthesized a new class of hybrids based on S-allylCysteine Ester/Caffeic Acid Amide and evaluated four of them against Trypanosoma cruzi and Plasmodium falciparum. Hybrid 6 exhibited good activity on T. cruzi with an EC50 value of 5.45 µM, whereas hybrid 3 was active over P. falciparum with an EC50 of 18.08 µM. All hybrids displayed a good selectivity index on P. falciparum. Molecular docking computations indicated that several hybrids have good binding affinities towards the protozoa related enzymes (Cruzipain or Falcipain-2) when compared against current inhibitors. In silico studies showed that conjugates 1-3 and 6 fulfilled optimal ADME characteristics, suggesting them as safe alternatives for oral treatment of protozoal infections.
Texte intégral:
1
Indice:
LILACS
Type d'étude:
Prognostic_studies
langue:
En
Texte intégral:
Braz. J. Pharm. Sci. (Online)
Thème du journal:
Farmacologia
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Teraputica
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Toxicologia
Année:
2022
Type:
Article
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Project document