Conformational Search on the Lewis X Structure by Molecular Dynamic : Study of Tri- and Pentasaccharide
Joint Authors
Ghalem, S.
Khebichat, N.
Nekkaz, K.
Source
International Journal of Carbohydrate Chemistry
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-02-13
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
Carbohydrates play vital roles in many biological processes, such as recognition, adhesion, and signalling between cells.
The Lewis X determinant is a trisaccharide fragment implicated as a specific differentiation antigen, tumor antigen, and key component of the ligand for the endothelial leukocyte adhesion molecule, so it is necessary or essential to determine and to know their conformational and structural properties.
In this work, conformational analysis was performed using molecular dynamics (MD) simulation with the AMBER10 program package in order to study the dynamic behavior of of the Lewis X trisaccharide (β-D-Gal-(1,4)-[α-L-Fuc-(1,3)]-β-D-GlcNAc-OMe) and the Lewis X pentasaccharide (β-D-Gal-(1,4)-[α-L-Fuc-(1,3)]-β-D-GlcNAc-(1,3)-β-D-Gal-(1,4)-β-D-Glu-OMe) in explicit water model at 300 K for 10 ns using the GLYCAM 06 force field.
American Psychological Association (APA)
Khebichat, N.& Nekkaz, K.& Ghalem, S.. 2012. Conformational Search on the Lewis X Structure by Molecular Dynamic : Study of Tri- and Pentasaccharide. International Journal of Carbohydrate Chemistry،Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-493631
Modern Language Association (MLA)
Khebichat, N.…[et al.]. Conformational Search on the Lewis X Structure by Molecular Dynamic : Study of Tri- and Pentasaccharide. International Journal of Carbohydrate Chemistry No. 2012 (2012), pp.1-7.
https://search.emarefa.net/detail/BIM-493631
American Medical Association (AMA)
Khebichat, N.& Nekkaz, K.& Ghalem, S.. Conformational Search on the Lewis X Structure by Molecular Dynamic : Study of Tri- and Pentasaccharide. International Journal of Carbohydrate Chemistry. 2012. Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-493631
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-493631