About: Selected AChE reactivators in different crystalline environment: salts and enzyme

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The investigation of relationships between the molecular structure of the compounds capable to reactivate acetylcholinesterase (AChE) inhibited by organophosphorus toxins, such as nerve agents and pesticides, is an important step toward synthesis of more efficient antidota. In the present article, we describe the crystal structures of two new AChE reactivators, which are bromides of (E)-1,4-bis(4-hydroxyiminomethylpyridinium)-but-2-ene (K075) and of 4,40-bis(hydroxyiminomethyl)-1,10-(1,4-phenylenedimethyl)-bispyridinium(K114). Their molecular geometry and intermolecular interactions in the crystalline state are compared to those in the crystal structures of the well-known AChE reactivators, obidoxime, and TMB-4. Inspection of hydrogen bonds and other short intermolecular contacts in the crystalline AChE?obidoxime komplex revealed their similarity to those observed in the crystal structures of K075 and K114 The investigation of relationships between the molecular structure of the compounds capable to reactivate acetylcholinesterase (AChE) inhibited by organophosphorus toxins, such as nerve agents and pesticides, is an important step toward synthesis of more efficient antidota. In the present article, we describe the crystal structures of two new AChE reactivators, which are bromides of (E)-1,4-bis(4-hydroxyiminomethylpyridinium)-but-2-ene (K075) and of 4,40-bis(hydroxyiminomethyl)-1,10-(1,4-phenylenedimethyl)-bispyridinium(K114). Their molecular geometry and intermolecular interactions in the crystalline state are compared to those in the crystal structures of the well-known AChE reactivators, obidoxime, and TMB-4. Inspection of hydrogen bonds and other short intermolecular contacts in the crystalline AChE?obidoxime komplex revealed their similarity to those observed in the crystal structures of K075 and K114 (en)
Title	Selected AChE reactivators in different crystalline environment: salts and enzyme Selected AChE reactivators in different crystalline environment: salts and enzyme (en)
skos:prefLabel	Selected AChE reactivators in different crystalline environment: salts and enzyme Selected AChE reactivators in different crystalline environment: salts and enzyme (en)
skos:notation	RIV/62157124:16370/10:00002654!RIV11-MSM-16370___
http://linked.open...avai/riv/aktivita	P V
http://linked.open...avai/riv/aktivity	P(ME 865), P(ME09086), V
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Jampílek, Josef Dohnal, Jiří
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	Veterinární a farmaceutická univerzita Brno / Farmaceutická fakulta
http://linked.open...dnocenehoVysledku	286748
http://linked.open...ai/riv/idVysledku	RIV/62157124:16370/10:00002654
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	acetylcholinesterase; antidota (en)
http://linked.open.../riv/klicoveSlovo	acetylcholinesterase antidota
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[00B1D5930ABD]
http://linked.open...i/riv/nazevZdroje	Structural Chemistry
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of novel antidotal treatment against organophosphorus pesticides http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20865
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	21
http://linked.open...iv/tvurceVysledku	Dohnal, Jiří Jampílek, Josef Kuča, Kamil Musílek, Kamil Musiol, Robert Skórska-Stania, Agnieszka Oleksyn, Barbara Śliwa, Magdalena
http://linked.open...ain/vavai/riv/wos	000277377500005
issn	1040-0400
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	16370
is http://linked.open...avai/riv/vysledek of	Selected AChE reactivators in different crystalline environment: salts and enzyme Selected AChE reactivators in different crystalline environment: salts and enzyme Selected AChE reactivators in different crystalline environment: salts and enzyme

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