THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES

Popis výsledku v původním jazyce

Molecular recognition of carbohydrates by proteins plays a key role in many biological processes including immune response, pathogen entry into a cell, cell-cell adhesion and so forth. Recent studies show that key role in protein - saccharide recognitionmay play dispersive interactions, such as CH/pi interactions of aromatic amino acids with non polar faces of carbohydrates. In this study we present computational study on the additive properties of the carbohydrate CH/pi dispersion interactions with condensed aromatic moieties. The naphthalene molecule was used as a model for the condensed aromatic system. The carbohydrates b-D-glucopyranose, b-D-mannopyranose and a-L-fucopyranose in complex with naphthalene were prepared. Two types of complexes wereprepared. In first group of complexes the carbohydrate is interacting via only the one CH group hydrogen with naphthalene and in the second group via two hydrogen atoms. All possible combinations of the complexes were prepared.

Název v anglickém jazyce

THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES

Popis výsledku anglicky

Molecular recognition of carbohydrates by proteins plays a key role in many biological processes including immune response, pathogen entry into a cell, cell-cell adhesion and so forth. Recent studies show that key role in protein - saccharide recognitionmay play dispersive interactions, such as CH/pi interactions of aromatic amino acids with non polar faces of carbohydrates. In this study we present computational study on the additive properties of the carbohydrate CH/pi dispersion interactions with condensed aromatic moieties. The naphthalene molecule was used as a model for the condensed aromatic system. The carbohydrates b-D-glucopyranose, b-D-mannopyranose and a-L-fucopyranose in complex with naphthalene were prepared. Two types of complexes wereprepared. In first group of complexes the carbohydrate is interacting via only the one CH group hydrogen with naphthalene and in the second group via two hydrogen atoms. All possible combinations of the complexes were prepared.

Druh

O - Ostatní výsledky

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů