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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F03%3A00009078%21RIV08-MSM-14310___
rdf:type
skos:Concept n18:Vysledek
dcterms:description
(+)-Catechin is a polyphenolic compound of natural origin that presents anti-oxidant properties of interest for therapeutics or cosmetics uses. Preliminary studies on inclusion into cyclodextrin cavities yielded contradictory results both for the quantitative (a nity constant) and qualitative description of the interaction. By a combination of several experimental and theoretical methods, the present study resolved the previous ambiguities about the interaction between (+)-catechin and b-cyclodextrin. Thermodynamic data measured by isothermal titration calorimetry demonstrate that the binding is enthalpy driven. Excellent agreement has been obtained for the measurement of the association constant by NMR and microcalorimetry. The several docking modes obtained by systematic docking studies have been compared to intermolecular contacts measured by NMR and the overall geometry of the complex can be proposed. (+)-Catechin is a polyphenolic compound of natural origin that presents anti-oxidant properties of interest for therapeutics or cosmetics uses. Preliminary studies on inclusion into cyclodextrin cavities yielded contradictory results both for the quantitative (a nity constant) and qualitative description of the interaction. By a combination of several experimental and theoretical methods, the present study resolved the previous ambiguities about the interaction between (+)-catechin and b-cyclodextrin. Thermodynamic data measured by isothermal titration calorimetry demonstrate that the binding is enthalpy driven. Excellent agreement has been obtained for the measurement of the association constant by NMR and microcalorimetry. The several docking modes obtained by systematic docking studies have been compared to intermolecular contacts measured by NMR and the overall geometry of the complex can be proposed. (+)-Catechin is a polyphenolic compound of natural origin that presents anti-oxidant properties of interest for therapeutics or cosmetics uses. Preliminary studies on inclusion into cyclodextrin cavities yielded contradictory results both for the quantitative (a nity constant) and qualitative description of the interaction. By a combination of several experimental and theoretical methods, the present study resolved the previous ambiguities about the interaction between (+)-catechin and b-cyclodextrin. Thermodynamic data measured by isothermal titration calorimetry demonstrate that the binding is enthalpy driven. Excellent agreement has been obtained for the measurement of the association constant by NMR and microcalorimetry. The several docking modes obtained by systematic docking studies have been compared to intermolecular contacts measured by NMR and the overall geometry of the complex can be proposed.
dcterms:title
Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques
skos:prefLabel
Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques
skos:notation
RIV/00216224:14310/03:00009078!RIV08-MSM-14310___
n3:strany
2590-2595
n3:aktivita
n13:P
n3:aktivity
P(LN00A016)
n3:cisloPeriodika
14
n3:dodaniDat
n12:2008
n3:domaciTvurceVysledku
n11:4347374 n11:9309616
n3:druhVysledku
n10:J
n3:duvernostUdaju
n16:S
n3:entitaPredkladatele
n6:predkladatel
n3:idSjednocenehoVysledku
611178
n3:idVysledku
RIV/00216224:14310/03:00009078
n3:jazykVysledku
n8:eng
n3:klicovaSlova
NMR; cyclodextrin; catechin; molecular modeling
n3:klicoveSlovo
n5:molecular%20modeling n5:cyclodextrin n5:NMR n5:catechin
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[7F226C994B95]
n3:nazevZdroje
Organic and Biomolecular Chemistry
n3:obor
n17:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
5
n3:projekt
n15:LN00A016
n3:rokUplatneniVysledku
n12:2003
n3:svazekPeriodika
1
n3:tvurceVysledku
Koča, Jaroslav Auzely-Velty, Rachel Kříž, Zdeněk Charlot, Aurelia Imberty, Anne
s:issn
1477-0520
s:numberOfPages
6
n14:organizacniJednotka
14310