THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F11%3A00053084" target="_blank" >RIV/00216224:14740/11:00053084 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
THEORETICAL STUDY OF THE CARBOHYDRATES DISPERSION INTERACTIONS WITH CONDENSED AROMATIC MOIETIES
Original language description
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.
Czech name
—
Czech description
—
Classification
Type
O - Miscellaneous
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
—
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů