Show simple item record

dc.contributor.authorKuča, Kamil
dc.contributor.authorMusílek, Kamil
dc.contributor.authorJun, Daniel
dc.contributor.authorPejchal, Jaroslav
dc.contributor.authorKrejcar, Ondřej
dc.contributor.authorPenhaker, Marek
dc.contributor.authorWu, Qinghua
dc.contributor.authorLopes, Raquel O.
dc.contributor.authorRamalho, Teodorico C.
dc.contributor.authorFranca, Tanos C. C.
dc.contributor.authorNepovimová, Eugenie
dc.contributor.authorSoukup, Ondřej
dc.date.accessioned2018-10-16T09:40:47Z
dc.date.available2018-10-16T09:40:47Z
dc.date.issued2018
dc.identifier.citationLetters in Drug Design & Discovery. 2018, vol. 15, issue 11, p. 1124-1130.cs
dc.identifier.issn1570-1808
dc.identifier.issn1875-628X
dc.identifier.urihttp://hdl.handle.net/10084/132749
dc.description.abstractBackground: Oxime K033 was considered a promising drug candidate originally developed for the treatment of nerve agent poisoning. This study summarizes its potency to reactivate in vitro acetylcholinesterase inhibited by several nerve agents (tabun, sarin, cyclosarin, soman, VX, Russian VX), mimic agent (DFP) and organophosphorus pesticide (chlorpyrifos) to show whether this compound might be used in cases of nerve agent or pesticide poisoning and considered as a so-called "broad spectrum reactivator". Methods: Moreover, docking studies of tested oxime with human AChE (HssAChE) complexed with several OPs were performed in order to verify its stability, binding modes and ability to adopt favourable conformations and to perform the reactivation reaction with each OP under experimental study. Results & Conclusion: According to the obtained results, K033 could not be considered a universal antidote due to its poor reactivation activity in the case of tabun-, soman- and DFP-inhibited rat acetylcholinesterase. On the contrary, its very good in vitro potency in human-relevant doses for cyclosarin inhibition is highlighted.cs
dc.language.isoencs
dc.publisherBentham Sciencecs
dc.relation.ispartofseriesLetters in Drug Design & Discoverycs
dc.relation.urihttp://doi.org/10.2174/1570164615666180713112238cs
dc.subjectoximecs
dc.subjectK033cs
dc.subjectnerve agentcs
dc.subjectpesticidecs
dc.subjectantidotecs
dc.subjectcholinesterasecs
dc.subjectreactivatorcs
dc.titleOxime K033-reactivation activity of cholinesterases inhibited by various nerve agents and organophosphorus pesticidescs
dc.typearticlecs
dc.identifier.doi10.2174/1570164615666180713112238
dc.type.statusPeer-reviewedcs
dc.description.sourceWeb of Sciencecs
dc.description.volume15cs
dc.description.issue11cs
dc.description.lastpage1130cs
dc.description.firstpage1124cs
dc.identifier.wos000445684700001


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record