Artículo
Stortz, C.A.; Cerezo, A.S. "Conformational analysis of sulfated aα-(1→3)-linked D-galactobioses using the MM3 force-field" (1998) Journal of Carbohydrate Chemistry. 17(9):1405-1419
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Abstract:
The conformational maps of eight derivatives of the disaccharide α-D-Galp-(1→3)-β-D-Galp sulfated in different positions were obtained using the MM3 force-field specially parameterized for sulfate ester groups. As occurred with MM2, the conformational flexibility of the glycosidic linkage is only slightly hindered by sulfation. A substantial effect of sulfation of the β-D-galactose unit on position 4 shifts the global minimum to positive ψH (C1'-O3-C3-H3) angles, while sulfation at position 2 of the same unit deepens the well at negative ψH angles. On the other hand, sulfation on the α-D-galactose unit has a lesser effect, which in any case tends to stabilize the minimum at negative ψH angles.
Registro:
| Documento: | Artículo |
| Título: | Conformational analysis of sulfated aα-(1→3)-linked D-galactobioses using the MM3 force-field |
| Autor: | Stortz, C.A.; Cerezo, A.S. |
| Filiación: | Depto. de Quim. Orgánica, Fac. de Ciencias Exactas y Naturales, Pabellón 2, 1428 Buenos Aires, Argentina |
| Año: | 1998 |
| Volumen: | 17 |
| Número: | 9 |
| Página de inicio: | 1405 |
| Página de fin: | 1419 |
| DOI: | http://dx.doi.org/10.1080/07328309808002362 |
| Título revista: | Journal of Carbohydrate Chemistry |
| Título revista abreviado: | J. Carbohydr. Chem. |
| ISSN: | 07328303 |
| CODEN: | JCACD |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_07328303_v17_n9_p1405_Stortz |
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Citas:
---------- APA ----------
Stortz, C.A. & Cerezo, A.S. (1998) . Conformational analysis of sulfated aα-(1→3)-linked D-galactobioses using the MM3 force-field. Journal of Carbohydrate Chemistry, 17(9), 1405-1419.http://dx.doi.org/10.1080/07328309808002362
---------- CHICAGO ----------
Stortz, C.A., Cerezo, A.S. "Conformational analysis of sulfated aα-(1→3)-linked D-galactobioses using the MM3 force-field" . Journal of Carbohydrate Chemistry 17, no. 9 (1998) : 1405-1419.http://dx.doi.org/10.1080/07328309808002362
---------- MLA ----------
Stortz, C.A., Cerezo, A.S. "Conformational analysis of sulfated aα-(1→3)-linked D-galactobioses using the MM3 force-field" . Journal of Carbohydrate Chemistry, vol. 17, no. 9, 1998, pp. 1405-1419.http://dx.doi.org/10.1080/07328309808002362
---------- VANCOUVER ----------
Stortz, C.A., Cerezo, A.S. Conformational analysis of sulfated aα-(1→3)-linked D-galactobioses using the MM3 force-field. J. Carbohydr. Chem. 1998;17(9):1405-1419.http://dx.doi.org/10.1080/07328309808002362
