Solution conformation and dynamics of exopolysaccharides from Burkholderia species

Carbohydrate Research
Laercio Pol-FachinHugo Verli

Abstract

Exopolysaccharides (EPSs) from the Burkholderia genus are proposed to be involved in pathological conditions in humans, such as cystic fibrosis and septicemia, as well as in the stability of soil aggregates. Hence, considering that the conformational and dynamic aspects of such EPSs may influence their biological activity, the current work employs a series of molecular dynamics simulations on di-, oligo-, and polysaccharide fragments of three EPSs, from Burkholderia caribensis, Burkholderia cepacia, and Burkholderia pseudomallei, with previously determined NOE data, to obtain a conformational description of such EPSs at the atomic level. As the obtained results show good agreement with the experimental data, pointing to the adequacy of the employed methodology to accurately describe the dynamics of polysaccharides, the strategy was also employed to predict the conformational behavior of an additional compound, from Burkholderia tropica, for which NOE signals are not available. Taking into account the potential importance of EPSs on the interaction of Burkholderia bacteria with distinct environments, it may be expected that a greater understanding of their structural aspects may contribute to controlling their pathological roles...Continue Reading

References

Sep 9, 2005·Journal of Molecular Graphics & Modelling·Hugo Verli, Jorge A Guimarães
Oct 8, 2005·Journal of Computational Chemistry·David Van Der SpoelHerman J C Berendsen

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Citations

Aug 19, 2011·Microbial Ecology·Zulma Rocío Suárez-MorenoVittorio Venturi
Apr 13, 2013·Carbohydrate Research·Carla G Chiodi, Hugo Verli
Nov 20, 2012·The Journal of Biological Chemistry·Paula V FernándezMarina Ciancia
Mar 26, 2014·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Conrado PedebosHugo Verli
Jun 1, 2014·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Pablo R ArantesHugo Verli
Mar 30, 2016·Glycoconjugate Journal·Laercio Pol-FachinMaria Luiza Saraiva-Pereira
Nov 27, 2019·Journal of Chemical Information and Modeling·Pablo R ArantesHugo Verli

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