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Statements

Subject Item
n2:RIV%2F62690094%3A18470%2F14%3A50002647%21RIV15-MSM-18470___
rdf:type
n9:Vysledek skos:Concept
rdfs:seeAlso
http://www.sciencedirect.com/science/article/pii/S0960894X14008300
dcterms:description
The search of proficient oximes as reactivators of irreversibly inhibited-AChE by organophosphate poisoning necessitates an appropriate assessment of their physicochemical properties and reactivation kinetics. Therefore, herein acid dissociation constant; pK(a), lipophilicity; logP, polar surface area, hydrogen bond donor and acceptor counts of structurally different oximes (two tertiary oximes and thirteen pyridinium aldoxime derivatives) have been evaluated. The experimentally obtained data for pK(a) has been comparatively analyzed by using non-linear regression. Further the tested oximes were screened through in vitro reactivation kinetics against paraoxon-inhibited AChE. The pK(a) values of all the examined oximes were within the range of 7.50-9.53. pK(a) values of uncharged and mono-pyridinium oximes were in good correlation with their reactivation potency. The high negative logP values of pyridinium oxime reactivators indicate their high hydrophilic character; hence oximes with improved lipophilicity should be designed for the development of novel and more potent antidotes. Propane and butane linked oximes were superior reactivators than xylene linked bis-oxime reactivators. It is concluded from the present study that pK(a) value is not only ruled by the position of oximino functionality in the pyridinium ring, but also by the position of linker. Although, pyridinium oximes are proved to be better reactivators but their lipophilicity has to be improved. The search of proficient oximes as reactivators of irreversibly inhibited-AChE by organophosphate poisoning necessitates an appropriate assessment of their physicochemical properties and reactivation kinetics. Therefore, herein acid dissociation constant; pK(a), lipophilicity; logP, polar surface area, hydrogen bond donor and acceptor counts of structurally different oximes (two tertiary oximes and thirteen pyridinium aldoxime derivatives) have been evaluated. The experimentally obtained data for pK(a) has been comparatively analyzed by using non-linear regression. Further the tested oximes were screened through in vitro reactivation kinetics against paraoxon-inhibited AChE. The pK(a) values of all the examined oximes were within the range of 7.50-9.53. pK(a) values of uncharged and mono-pyridinium oximes were in good correlation with their reactivation potency. The high negative logP values of pyridinium oxime reactivators indicate their high hydrophilic character; hence oximes with improved lipophilicity should be designed for the development of novel and more potent antidotes. Propane and butane linked oximes were superior reactivators than xylene linked bis-oxime reactivators. It is concluded from the present study that pK(a) value is not only ruled by the position of oximino functionality in the pyridinium ring, but also by the position of linker. Although, pyridinium oximes are proved to be better reactivators but their lipophilicity has to be improved.
dcterms:title
Assessment of antidotal efficacy of cholinesterase reactivators against paraoxon: In vitro reactivation kinetics and physicochemical properties Assessment of antidotal efficacy of cholinesterase reactivators against paraoxon: In vitro reactivation kinetics and physicochemical properties
skos:prefLabel
Assessment of antidotal efficacy of cholinesterase reactivators against paraoxon: In vitro reactivation kinetics and physicochemical properties Assessment of antidotal efficacy of cholinesterase reactivators against paraoxon: In vitro reactivation kinetics and physicochemical properties
skos:notation
RIV/62690094:18470/14:50002647!RIV15-MSM-18470___
n5:aktivita
n18:I
n5:aktivity
I
n5:cisloPeriodika
19
n5:dodaniDat
n10:2015
n5:domaciTvurceVysledku
n19:6469922
n5:druhVysledku
n17:J
n5:duvernostUdaju
n6:S
n5:entitaPredkladatele
n11:predkladatel
n5:idSjednocenehoVysledku
4253
n5:idVysledku
RIV/62690094:18470/14:50002647
n5:jazykVysledku
n14:eng
n5:klicovaSlova
Reactivators; Pesticide poisoning; Lipophilicity; Acid dissociation constant; Reactivation kinetics
n5:klicoveSlovo
n13:Lipophilicity n13:Reactivation%20kinetics n13:Reactivators n13:Acid%20dissociation%20constant n13:Pesticide%20poisoning
n5:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n5:kontrolniKodProRIV
[B6864E8B301A]
n5:nazevZdroje
Bioorganic and medicinal chemistry letters
n5:obor
n12:FR
n5:pocetDomacichTvurcuVysledku
1
n5:pocetTvurcuVysledku
9
n5:rokUplatneniVysledku
n10:2014
n5:svazekPeriodika
24
n5:tvurceVysledku
Gupta, Bhanushree Ghosh, Kallol K. Satnami, M. L. Singh, Namrata Kuca, Kamil Sharm, Rahul Foretic, Blazenka Acharya, Jyotiranjan Musílek, Kamil
n5:wos
000342574600024
s:issn
0960-894X
s:numberOfPages
6
n15:doi
10.1016/j.bmcl.2014.07.095
n4:organizacniJednotka
18470