The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60162694%3AG44__%2F11%3A00002456" target="_blank" >RIV/60162694:G44__/11:00002456 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/11:43881401 RIV/00216208:11160/11:10100542
Result on the web
<a href="http://dx.doi.org/10.3109/14756366.2010.496362" target="_blank" >http://dx.doi.org/10.3109/14756366.2010.496362</a>
DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage
Original language 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 ?-? or ?-cationic interactions with key amino acid residues of hAChE and the binding of the chosen compound aside enzyme catalytic site.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
FR - Pharmacology and apothecary chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/OVUOFVZ200805" target="_blank" >OVUOFVZ200805: Novel inhibitors of acetylcholinesterase as prophylaxis of nerve agent poisonings</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Enzyme Inhibition and Medicinal Chemistry
ISSN
1475-6366
e-ISSN
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Volume of the periodical
26
Issue of the periodical within the volume
2
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
245-253
UT code for WoS article
000288441700013
EID of the result in the Scopus database
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