Docking studies of binding of ethambutol to the C-terminal domain of the arabinosyltransferase from mycobacterium tuberculosis

Guillermo Salgado-Moran, Rodrigo Ramirez-Tagle, Daniel Glossman-Mitnik, Samuel Ruiz-Nieto, Pran Kishore-Deb, Marta Bunster, Francisco Lobos-Gonzalez

Resultado de la investigación: Contribución a una revistaArtículo

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Resumen

The binding of ethambutol to the C-terminal domain of the arabinosyltransferase from Mycobacterium tuberculosis was studied. The analysis was performed using an in silico approach in order to find out, by docking calculations and energy descriptors, the conformer of Ethambutol that forms the most stable complex with the C-terminal domain of arabinosyltransferase. The complex shows that location of the Ethambutol coincides with the cocrystallization ligand position and that amino acid residues ASH1051, ASN740, ASP1052, and ARG1055 should be critical in the binding of Ethambutol to C-terminal domain EmbC.

Idioma originalInglés
Número de artículo601270
PublicaciónJournal of Chemistry
DOI
EstadoPublicada - 2013

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    Salgado-Moran, G., Ramirez-Tagle, R., Glossman-Mitnik, D., Ruiz-Nieto, S., Kishore-Deb, P., Bunster, M., & Lobos-Gonzalez, F. (2013). Docking studies of binding of ethambutol to the C-terminal domain of the arabinosyltransferase from mycobacterium tuberculosis. Journal of Chemistry, [601270]. https://doi.org/10.1155/2013/601270