VII Simposio Internacional de Química 2019 "SIQ 2019" -VII Conferencia "Ciencias Químicas"

VII Simposio Internacional de Química 2019

SIQ 2019

MOLECULAR DOCKING STUDY ON THE INTERACTION BETWEEN 2-SUBSTITUTED-4,5-DIFURYL IMIDAZOLES WITH DIFFERENT PROTEIN TARGET FOR ANTILEISHMANIAL ACTIVITY.

Resumen [ES]

Leishmaniasis is a disease which is caused by the protozoa Leishmania and is considered the second-highest cause of death worldwide by parasitic infection. Looking for the right chemotherapy against leishmaniases has been difficult because of the high toxicity of the most effective drugs. Computational Chemistry plays an important role in the research of new possible medicines. In this work, docking analysis was carried out to study the effects of nine 4,5-di (furan-2-yl-1 H-imiazole) on Leishmania arginase, Leishmania trypanothione synthetase amidase and Leishmania trypanothione reductase and results were compared with four known drugs, and with targets’ potential inhibitors. .∆G, Ki and binding interactions in the targets active sites were reported. Results show that 4, 5-di (furan-2-yl)-2-(5-(4-nitrophenyl) furan-2-yl)-1H imidazole and 4-(5-(4, 5-di (furan-2-yl)-1H-imidazol-2-yl) furan-2-yl) benzoic acid are promising leads, so the study of these compounds is recommended.

Resumen [EN]

Leishmaniasis is a disease which is caused by the protozoa Leishmania and is considered the second-highest cause of death worldwide by parasitic infection. Looking for the right chemotherapy against leishmaniases has been difficult because of the high toxicity of the most effective drugs. Computational Chemistry plays an important role in the research of new possible medicines. In this work, docking analysis was carried out to study the effects of nine 4,5-di (furan-2-yl-1 H-imiazole) on Leishmania arginase, Leishmania trypanothione synthetase amidase and Leishmania trypanothione reductase and results were compared with four known drugs, and with targets’ potential inhibitors. .∆G, Ki and binding interactions in the targets active sites were reported. Results show that 4, 5-di (furan-2-yl)-2-(5-(4-nitrophenyl) furan-2-yl)-1H imidazole and 4-(5-(4, 5-di (furan-2-yl)-1H-imidazol-2-yl) furan-2-yl) benzoic acid are promising leads, so the study of these compounds is recommended.

Sobre el ponente

Julio Rojas Vargas

MsC. Julio Rojas Vargas

UO Flag of Cuba
Información Práctica
English (US)
No definido
30 minutos
No definido
Autores
Prof Phd Matheus Froeyen
Phd. América García López
Lic. Mariana Castro Piñol
MsC. Julio Rojas Vargas
Palabras clave
2-substituted-4
5-difuryl imidazoles
antileishmanial activity
leishmania
molecular docking