About: Study of hydrophobic properties of biologically active open analogues of flavonoids

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Study of hydrophobic properties of biologically active open analogues of flavonoids Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S1093326312001131
Description	Hydrophobicity can either be determined experimentally or predicted by means of commercially available programs. In the studies concerning biological activities of pyrazine analogues of chalcones, 3-(2-hydroxyphenyl)-1-(pyrazin-2-yl)prop-2-en-1-ones were more potent than the corresponding 3(4-hydroxyphenyl)-1-(pyrazin-2-yl)prop-2-en-1-ones. As the difference in lipophilicity may be a factor responsible for the difference in the potency, R-M values of the compounds were determined by RP-TLC and compared with log P values calculated by various commercially available programs. Important discrepancies were found between experimental and computational lipophilicity data. Therefore, we have tried to find a reliable method for calculating R-M values from in silico derived molecular parameters. The R-M values obtained with the chromatographic system consisting of Silufol UV 254 plates impregnated with silicon oil as the stationary phase and acetone-citrate buffer ( pH = 3)50:50 (v/v) as the mobile phase correlated well with van der Waals volumes (V-W) and hydration energies (Delta G(H2O)) derived of molecular models calculated on RHF/AM1 level. Hydrophobicity can either be determined experimentally or predicted by means of commercially available programs. In the studies concerning biological activities of pyrazine analogues of chalcones, 3-(2-hydroxyphenyl)-1-(pyrazin-2-yl)prop-2-en-1-ones were more potent than the corresponding 3(4-hydroxyphenyl)-1-(pyrazin-2-yl)prop-2-en-1-ones. As the difference in lipophilicity may be a factor responsible for the difference in the potency, R-M values of the compounds were determined by RP-TLC and compared with log P values calculated by various commercially available programs. Important discrepancies were found between experimental and computational lipophilicity data. Therefore, we have tried to find a reliable method for calculating R-M values from in silico derived molecular parameters. The R-M values obtained with the chromatographic system consisting of Silufol UV 254 plates impregnated with silicon oil as the stationary phase and acetone-citrate buffer ( pH = 3)50:50 (v/v) as the mobile phase correlated well with van der Waals volumes (V-W) and hydration energies (Delta G(H2O)) derived of molecular models calculated on RHF/AM1 level. (en)
Title	Study of hydrophobic properties of biologically active open analogues of flavonoids Study of hydrophobic properties of biologically active open analogues of flavonoids (en)
skos:prefLabel	Study of hydrophobic properties of biologically active open analogues of flavonoids Study of hydrophobic properties of biologically active open analogues of flavonoids (en)
skos:notation	RIV/00216208:11160/13:10146063!RIV14-MZ0-11160___
http://linked.open...avai/predkladatel	Farmaceutická fakulta v Hradci Králové
http://linked.open...avai/riv/aktivita	I P Z
http://linked.open...avai/riv/aktivity	I, P(NS10367), Z(MSM0021620822)
http://linked.open...iv/cisloPeriodika	February
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Chlupáčová, Marta Palát, Karel Kastner, Petr Opletalová, Veronika
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Farmaceutická fakulta v Hradci Králové
http://linked.open...dnocenehoVysledku	108712
http://linked.open...ai/riv/idVysledku	RIV/00216208:11160/13:10146063
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Molecular models; RP-TLC; Lipophilicity; Hydroxylated 1-pyrazin-2-ylpropen-1-ones (en)
http://linked.open.../riv/klicoveSlovo	Hydroxylated 1-pyrazin-2-ylpropen-1-ones Molecular models RP-TLC Lipophilicity
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[8CCB563772E3]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Graphics and Modelling
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Evaluation and development of new perspective antimycobacterial drugs and prodrugs active against multidrug resistant strains
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	39
http://linked.open...iv/tvurceVysledku	Palát, Karel Opletalová, Veronika Kastner, Petr Kučerová, Marta
http://linked.open...ain/vavai/riv/wos	000315839400007
http://linked.open...n/vavai/riv/zamer	Research of new drug structures
issn	1093-3263
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.jmgm.2012.07.009
http://localhost/t...ganizacniJednotka	11160

Faceted Search & Find service v1.16.116 as of Feb 22 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of Feb 22 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 82 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software