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Título : Systematic search for benzimidazole compounds and derivatives with antileishmanial effects / Juan Carlos Sánchez-Salgado ... [et al.].
Autor : Sánchez Delgado, Juan Carlos.
Bilbao Ramos, Pablo.
Dea Ayuela, María Auxiliadora.
Hernández Luis, Francisco.
Bolas Fernández, Francisco.
Medina Franco, José Luis.
Rojas Aguirre, Yareli.
Materias: Bencimidazoles - Uso terapéutico.Benzimidazoles - Therapeutic use.Leishmaniasis - Farmacoterapia.Chemistry - Data processing.Leishmaniasis - Treatment.Leishmaniasis - Chemotherapy.Informática - Aplicaciones en química.Leishmaniasis - Tratamiento.
Fecha de publicación : 1-nov-2018
Editorial : Springer International.
Citación : Sánchez Salgado, JC., Bilbao Ramos, P., Dea Ayuela, MA., Hernández Luis, F., Bolás Fernández, F., Medina Franco, JL. & Rojas Aguirre, Y. (2018). Systematic search for benzimidazole compounds and derivatives with antileishmanial effects. Molecular Diversity, vol. 22, n. 4 (nov.), pp. 779-790. DOI: https://doi.org/10.1007/s11030-018-9830-7
Resumen : Leishmaniasis is a neglected tropical disease that currently affects 12 million people, and over 1 billion people are at risk of infection. Current chemotherapeutic approaches used to treat this disease are unsatisfactory, and the limitations of these drugs highlight the necessity to develop treatments with improved efficacy and safety. To inform the rational design and development of more efficient therapies, the present study reports a chemoinformatic approach using the ChEMBL database to retrieve benzimidazole as a target scaffold. Our analysis revealed that a limited number of studies had investigated the antileishmanial effects of benzimidazoles. Among this limited number, L. major was the species most commonly used to evaluate the antileishmanial effects of these compounds, whereas L. amazonensis and L. braziliensis were used least often in the reported studies. The antileishmanial activities of benzimidazole derivatives were notably variable, a fact that may depend on the substitution pattern of the scaffold. In addition, we investigated the effects of a benzimidazole derivative on promastigotes and amastigotes of L. infantum and L. amazonensis using a novel fluorometric method. Significant antileishmanial effects were observed on both species, with L. amazonensis being the most sensitive. To the best of our knowledge, this chemoinformatic analysis represents the first attempt to determine the relevance of benzimidazole scaffolds for antileishmanial drug discovery using the ChEMBL database. The present findings will provide relevant information for future structure–activity relationship studies and for the investigation of benzimidazole-derived drugs as potential treatments for leishmaniasis.
Descripción : Este artículo se encuentra disponible en la página web de la revista en la siguiente URL: https://link.springer.com/article/10.1007%2Fs11030-018-9830-7
This is the peer reviewed version of the following article: Sánchez Salgado, JC., Bilbao Ramos, P., Dea Ayuela, MA., Hernández Luis, F., Bolás Fernández, F., Medina Franco, JL. & Rojas Aguirre, Y. (2018). Systematic search for benzimidazole compounds and derivatives with antileishmanial effects. Molecular Diversity, vol. 22, n. 4 (nov.), pp. 779-790, which has been published in final form at https://doi.org/10.1007/s11030-018-9830-7.
Este es el post-print del siguiente artículo: Sánchez Salgado, JC., Bilbao Ramos, P., Dea Ayuela, MA., Hernández Luis, F., Bolás Fernández, F., Medina Franco, JL. & Rojas Aguirre, Y. (2018). Systematic search for benzimidazole compounds and derivatives with antileishmanial effects. Molecular Diversity, vol. 22, n. 4 (nov.), pp. 779-790, que se ha publicado de forma definitiva en https://doi.org/10.1007/s11030-018-9830-7.
URI : http://hdl.handle.net/10637/10681
Derechos: http://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
ISSN : 1381-1991
1573-501X (Electrónico)
Aparece en las colecciones: Dpto. Farmacia




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