About: Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment

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About: Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S0960894X11002319
Description	This paper describes the preparation and in vitro evaluation of 18 newly prepared bis-quinolinium inhibitors on human recombinant acetylcholinesterase (AChE) and human plasmatic butyrylcholinesterase (BChE). Their inhibitory (IC50) and was compared to the chosen standards ambenonium dichloride, edrophonium chloride, BW284c51 and ethopropazine hydrochloride. One novel compound was found to be a promising inhibitor of hAChE (in nM range) and was better than edrophonium chloride or BW284c51, but was worse than ambenonium chloride. This compound also showed selectivity towards hAChE and it was confirmed as a non-competitive inhibitor of hAChE by kinetic analysis. A molecular modelling study further confirmed its binding to the peripheral active site of hAChE via apparent pí-pí or pí-cationic interactions. This paper describes the preparation and in vitro evaluation of 18 newly prepared bis-quinolinium inhibitors on human recombinant acetylcholinesterase (AChE) and human plasmatic butyrylcholinesterase (BChE). Their inhibitory (IC50) and was compared to the chosen standards ambenonium dichloride, edrophonium chloride, BW284c51 and ethopropazine hydrochloride. One novel compound was found to be a promising inhibitor of hAChE (in nM range) and was better than edrophonium chloride or BW284c51, but was worse than ambenonium chloride. This compound also showed selectivity towards hAChE and it was confirmed as a non-competitive inhibitor of hAChE by kinetic analysis. A molecular modelling study further confirmed its binding to the peripheral active site of hAChE via apparent pí-pí or pí-cationic interactions. (en)
Title	Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment (en)
skos:prefLabel	Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment (en)
skos:notation	RIV/44555601:13440/11:43881362!RIV12-MSM-13440___
http://linked.open...avai/predkladatel	Přírodovědecká fakulta
http://linked.open...avai/riv/aktivita	I P S
http://linked.open...avai/riv/aktivity	I, P(GP203/09/P130), S
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Dohnal, Vlastimil
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 Jana Evangelisty Purkyně v Ústí nad Labem / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	223065
http://linked.open...ai/riv/idVysledku	RIV/44555601:13440/11:43881362
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	SAR; molecular docking; in vitro; Myasthenia gravis; inhibitor; cholinesterase (en)
http://linked.open.../riv/klicoveSlovo	cholinesterase molecular docking SAR in vitro Myasthenia gravis inhibitor
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F5A10B7BEEF5]
http://linked.open...i/riv/nazevZdroje	Bioorganic and medicinal chemistry letters
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of novel acetylcholinesterase inhibitors as treatment of Myasthenia Gravis
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	21
http://linked.open...iv/tvurceVysledku	Dohnal, Vlastimil Kuča, Kamil Musílek, Kamil Holas, Ondřej Horová, Anna Komloová, Markéta Gunn-Morore, Frank
http://linked.open...ain/vavai/riv/wos	000289074700070
issn	0960-894X
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.bmcl.2011.02.047
http://localhost/t...ganizacniJednotka	13440
is http://linked.open...avai/riv/vysledek of	Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment Preparation, in vitro screening and molecular modelling of symmetrical bis quinolinium cholinesterase inhibitors - implications for early Myasthenia gravis treatment

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