About: The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage

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About: The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage 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)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.3109/14756366.2010.496362
Description	In this paper, we describe 17 novel bisquaternary compounds and analyse their effect on AChE inhibition. The newly prepared compounds were evaluated in vitro using both human erythrocyte acetylcholinesterase (AChE) and human plasmatic butyrylcholinesterase. Their inhibitory ability was expressed as an IC50 and then compared to standard carbamate drugs and two AChE reactivators. One of these novel compounds provided promising AChE inhibition (nM range) in vitro and better than the currently used standards. Additionally, a kinetics assay confirmed the non-competitive inhibition of hAChE by this novel compound. Consequently, the docking results confirmed the apparent π-π or π-cationic interactions with key amino acid residues of hAChE and the binding of the chosen compound aside enzyme catalytic site. In this paper, we describe 17 novel bisquaternary compounds and analyse their effect on AChE inhibition. The newly prepared compounds were evaluated in vitro using both human erythrocyte acetylcholinesterase (AChE) and human plasmatic butyrylcholinesterase. Their inhibitory ability was expressed as an IC50 and then compared to standard carbamate drugs and two AChE reactivators. One of these novel compounds provided promising AChE inhibition (nM range) in vitro and better than the currently used standards. Additionally, a kinetics assay confirmed the non-competitive inhibition of hAChE by this novel compound. Consequently, the docking results confirmed the apparent π-π or π-cationic interactions with key amino acid residues of hAChE and the binding of the chosen compound aside enzyme catalytic site. (en)
Title	The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage (en)
skos:prefLabel	The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage (en)
skos:notation	RIV/60162694:G44__/11:00002456!RIV12-MO0-G44_____
http://linked.open...avai/riv/aktivita	I P S
http://linked.open...avai/riv/aktivity	I, P(OVUOFVZ200805), S
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Hrabinová, Martina Kuča, Kamil Pavlíková, Růžena Musílek, Kamil Pohanka, Doc. RNDr. PhD, Miroslav Marek, Jan
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	Ministerstvo obrany / Univerzita obrany - Fakulta vojenského zdravotnictví Hradec Králové
http://linked.open...dnocenehoVysledku	223064
http://linked.open...ai/riv/idVysledku	RIV/60162694:G44__/11:00002456
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	cholinesterase; inhibitor; pre-treatment; Myasthenia gravis; quaternary; in vitro; docking (en)
http://linked.open.../riv/klicoveSlovo	cholinesterase docking pre-treatment quaternary in vitro Myasthenia gravis inhibitor
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[9456B44220A2]
http://linked.open...i/riv/nazevZdroje	Journal of Enzyme Inhibition and Medicinal Chemistry
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	6 (xsd:int)
http://linked.open...cetTvurcuVysledku	11 (xsd:int)
http://linked.open...vavai/riv/projekt	Novel inhibitors of acetylcholinesterase as prophylaxis of nerve agent poisonings
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	26
http://linked.open...iv/tvurceVysledku	Doležal, Martin Dohnal, Vlastimil Hrabinová, Martina Kuča, Kamil Marek, Jan Musílek, Kamil Pavlíková, Růžena Pohanka, Miroslav Gunn-Moore, Frank Holas, Ondřej Komlóová, Markéta
http://linked.open...ain/vavai/riv/wos	000288441700013
issn	1475-6366
number of pages	9 (xsd:int)
http://localhost/t...ganizacniJednotka	G44

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