THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES

Varování

Publikace nespadá pod Ústav výpočetní techniky, ale pod Středoevropský technologický institut. Oficiální stránka publikace je na webu muni.cz.

Autoři	KOZMON Stanislav MATUŠKA Radek SPIWOK Vojtěch KOČA Jaroslav
Rok publikování	2011
Druh	Konferenční abstrakty
Fakulta / Pracoviště MU	Středoevropský technologický institut
Citace
Popis	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 recognition may 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 were prepared. 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.
Související projekty:	Proteiny v metabolismu a při interakci organismů s prostředím Program developing interdisciplinary research POtential for the STudies of BIOMolecular INteractions Saccharide - protein dispersion interactions involved in the bacterial recognition processes