S-allylCysteine Ester/Caffeic Acid Amide Hybrids as Promising Antiprotozoal Candidates: Synthesis, Biological Evaluation and Molecular Modeling Studies
Título del documento: S-allylCysteine Ester/Caffeic Acid Amide Hybrids as Promising Antiprotozoal Candidates: Synthesis, Biological Evaluation and Molecular Modeling Studies
Revista: Brazilian Journal of Pharmaceutical Sciences
Base de datos: PERIÓDICA
Número de sistema: 000451687
ISSN: 1984-8250
Autores: 1
2
1
1
Instituciones: 1Universidad de Antioquia, Facultad de Ciencias Exactas y Naturales, Medellín, Antioquia. Colombia
2Universidad de Antioquia, Escuela de Medicina, Medellín, Antioquia. Colombia
Año:
Volumen: 58
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Experimental, aplicado
Resumen en inglés 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
Disciplinas: Química
Palabras clave: Química farmacéutica,
Enfermedad de Chagas,
Paludismo,
S-alil cisteína,
Acido cafeico
Keyword: Medicinal chemistry,
S-allyl cysteine,
Caffeic acid,
Chagas disease,
Malaria
Texto completo: Texto completo (Ver HTML) Texto completo (Ver PDF)