Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis
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...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/601270 |
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| author | Guillermo Salgado-Moran Rodrigo Ramirez-Tagle Daniel Glossman-Mitnik Samuel Ruiz-Nieto Pran Kishore-Deb Marta Bunster Francisco Lobos-Gonzalez |
| author_facet | Guillermo Salgado-Moran Rodrigo Ramirez-Tagle Daniel Glossman-Mitnik Samuel Ruiz-Nieto Pran Kishore-Deb Marta Bunster Francisco Lobos-Gonzalez |
| author_sort | Guillermo Salgado-Moran |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-1fb99c07ee494054b27b3bcde9f47701 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-1fb99c07ee494054b27b3bcde9f477012025-02-03T05:59:12ZengWileyJournal of Chemistry2090-90632090-90712013-01-01201310.1155/2013/601270601270Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosisGuillermo Salgado-Moran0Rodrigo Ramirez-Tagle1Daniel Glossman-Mitnik2Samuel Ruiz-Nieto3Pran Kishore-Deb4Marta Bunster5Francisco Lobos-Gonzalez6Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello, Sede Concepción, Concepción 4070000, ChileUniversidad Bernardo O'Higgins, Laboratorio de Bionanotecnología, General Gana 1780, Santiago 7490000, ChileLaboratorio Virtual NANOCOSMOS, Centro de Investigación en Materiales Avanzados, Miguel de Cervantes 120, Complejo Industrial Chihuahua, 31109 Chihuahua CHIH, MexicoFacultad de Medicina, Universidad Diego Portales, Avenida Ejército 233, Santiago 7490000, ChilePharmaceutical Chemistry Division, Institute of Pharmaceutical Sciences and Centre of Advanced Study in Pharmaceutical Sciences (UGC-CAS), Panjab University, Chandigarh 14, IndiaLaboratorio de Biofísica Molecular, Departamento de Bioquímica y Biología Molecular, Facultad de Ciencias Biológicas, Universidad de Concepción, Casilla 160-C, Concepción 407000, ChileLaboratorio de Biofísica Molecular, Departamento de Bioquímica y Biología Molecular, Facultad de Ciencias Biológicas, Universidad de Concepción, Casilla 160-C, Concepción 407000, ChileThe 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.http://dx.doi.org/10.1155/2013/601270 |
| spellingShingle | Guillermo Salgado-Moran Rodrigo Ramirez-Tagle Daniel Glossman-Mitnik Samuel Ruiz-Nieto Pran Kishore-Deb Marta Bunster Francisco Lobos-Gonzalez Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis Journal of Chemistry |
| title | Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis |
| title_full | Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis |
| title_fullStr | Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis |
| title_full_unstemmed | Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis |
| title_short | Docking Studies of Binding of Ethambutol to the C-Terminal Domain of the Arabinosyltransferase from Mycobacterium tuberculosis |
| title_sort | docking studies of binding of ethambutol to the c terminal domain of the arabinosyltransferase from mycobacterium tuberculosis |
| url | http://dx.doi.org/10.1155/2013/601270 |
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