Research Article | Volume: 8, Issue: 3, March, 2018

Molecular docking study on the interaction between 2-substituted-4,5-difuryl Imidazoles with different Protein Target for antileishmanial activity

Julio Alberto Rojas Vargas America García Lopez Mariana Castro Piñol Matheus Froeyen   

Open Access   

Published:  Mar 30, 2018

DOI: 10.7324/JAPS.2018.8303
Abstract

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 2-substituted-4,5-difuryl Imidazole on Leishmania arginase, Leishmania trypanothione synthetase amidase and Leishmania trypanothione reductase and results were compared with three known drugs, and with targets potential inhibitors. ΔG, 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.


Keyword:     Antileishmanial activity Leishmania Molecular docking 2-substitut¬ed-45-difuryl imidazoles Leishmania arginase Leish¬mania trypanothione synthe¬tase amidase Leishmania trypanothione reductase.


Citation:

Vargas JAR, Lopez AG, Froeyen M, Piñol MC. Molecular docking study on the interaction between 2-substituted-4,5-difuryl Imidazoles with different Protein Target for antileishmanial activity. J App Pharm Sci, 2018; 8(03): 014-022.

Copyright: © The Author(s). This is an open-access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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