Folded Conformations of Maitotoxin
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| Natura: | Artículo científico |
| Lingua: | en |
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Sociedad Química de México
2008
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| _version_ | 1876460127859507200 |
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| author | Myrna H. Matus |
| author_facet | Myrna H. Matus |
| contents | Folded Conformations of Maitotoxin Myrna H. Matus Marcelo Galván Laura Escobar Multidisciplinaria (Ciencias Naturales y Exactas) Maitotoxin hydrogen bonds conformational analysis We used classical molecular mechanics and dynamicssimulations to sample the conformational space of maitotoxin, thelargest and most lethal natural product. Among the set of minimaobtained, the five conformers with the lowest energies show foldedstructures with an intramolecular hole. We found the folding mainlydue to hydrogen bonds that fasten the mobile zones of the molecule.The hole on each MTX conformer is big enough to interact withions, such as Ca2+ or Na+, which could be involved in its toxic effectsobserved on all cell types. 2008 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47552111 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.52 |
| format | Artículo científico |
| id | redalyc_47552111 |
| institution | Redalyc |
| language | en |
| publishDate | 2008 |
| publisher | Sociedad Química de México |
| spellingShingle | Folded Conformations of Maitotoxin Myrna H. Matus Multidisciplinaria (Ciencias Naturales y Exactas) Maitotoxin hydrogen bonds conformational analysis Folded Conformations of Maitotoxin Myrna H. Matus Marcelo Galván Laura Escobar Multidisciplinaria (Ciencias Naturales y Exactas) Maitotoxin hydrogen bonds conformational analysis We used classical molecular mechanics and dynamicssimulations to sample the conformational space of maitotoxin, thelargest and most lethal natural product. Among the set of minimaobtained, the five conformers with the lowest energies show foldedstructures with an intramolecular hole. We found the folding mainlydue to hydrogen bonds that fasten the mobile zones of the molecule.The hole on each MTX conformer is big enough to interact withions, such as Ca2+ or Na+, which could be involved in its toxic effectsobserved on all cell types. 2008 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47552111 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.1 Vol.52 |
| title | Folded Conformations of Maitotoxin |
| topic | Multidisciplinaria (Ciencias Naturales y Exactas) Maitotoxin hydrogen bonds conformational analysis |
| url | https://www.redalyc.org/articulo.oa?id=47552111 |