Theoretical study on the toxicity of ‘Novichok’ agent candidates
The identities and properties of ‘Novichok’ (Russian for ‘newcomer’ or ‘novice’) agents allegedly used in the recent terrorist attack in the UK have not been well documented. Although several people previously involved in the synthesis of these materials claimed Novichok agents to be five to eight t...
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2019-08-01
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Online Access: | https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.190414 |
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doaj-68d21d1abe104782a1db28e18fbdb9592020-11-25T03:57:36ZengThe Royal SocietyRoyal Society Open Science2054-57032019-08-016810.1098/rsos.190414190414Theoretical study on the toxicity of ‘Novichok’ agent candidatesKeunhong JeongJunwon ChoiThe identities and properties of ‘Novichok’ (Russian for ‘newcomer’ or ‘novice’) agents allegedly used in the recent terrorist attack in the UK have not been well documented. Although several people previously involved in the synthesis of these materials claimed Novichok agents to be five to eight times more potent than VX, a deadly nerve agent, no open data on these species are currently available. To bridge this gap, we herein performed a theoretical study on several Novichok agent candidates and conducted natural population charge analysis to evaluate the possible mechanisms of their toxicity, suggesting that these agents might promote the ageing and deformation of acetylcholinesterase. Moreover, the reaction of Novichok agents with acetylcholinesterase serine was calculated to be most thermodynamically favoured for Novichok candidate A234. Thus, this work is believed to provide a basis for finding Novichok antidotes and should inspire further detoxification studies to prepare for possible terrorist attacks in the future.https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.190414novichoknerve agenttoxicityquantum calculationacetylcholinesterase |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Keunhong Jeong Junwon Choi |
spellingShingle |
Keunhong Jeong Junwon Choi Theoretical study on the toxicity of ‘Novichok’ agent candidates Royal Society Open Science novichok nerve agent toxicity quantum calculation acetylcholinesterase |
author_facet |
Keunhong Jeong Junwon Choi |
author_sort |
Keunhong Jeong |
title |
Theoretical study on the toxicity of ‘Novichok’ agent candidates |
title_short |
Theoretical study on the toxicity of ‘Novichok’ agent candidates |
title_full |
Theoretical study on the toxicity of ‘Novichok’ agent candidates |
title_fullStr |
Theoretical study on the toxicity of ‘Novichok’ agent candidates |
title_full_unstemmed |
Theoretical study on the toxicity of ‘Novichok’ agent candidates |
title_sort |
theoretical study on the toxicity of ‘novichok’ agent candidates |
publisher |
The Royal Society |
series |
Royal Society Open Science |
issn |
2054-5703 |
publishDate |
2019-08-01 |
description |
The identities and properties of ‘Novichok’ (Russian for ‘newcomer’ or ‘novice’) agents allegedly used in the recent terrorist attack in the UK have not been well documented. Although several people previously involved in the synthesis of these materials claimed Novichok agents to be five to eight times more potent than VX, a deadly nerve agent, no open data on these species are currently available. To bridge this gap, we herein performed a theoretical study on several Novichok agent candidates and conducted natural population charge analysis to evaluate the possible mechanisms of their toxicity, suggesting that these agents might promote the ageing and deformation of acetylcholinesterase. Moreover, the reaction of Novichok agents with acetylcholinesterase serine was calculated to be most thermodynamically favoured for Novichok candidate A234. Thus, this work is believed to provide a basis for finding Novichok antidotes and should inspire further detoxification studies to prepare for possible terrorist attacks in the future. |
topic |
novichok nerve agent toxicity quantum calculation acetylcholinesterase |
url |
https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.190414 |
work_keys_str_mv |
AT keunhongjeong theoreticalstudyonthetoxicityofnovichokagentcandidates AT junwonchoi theoreticalstudyonthetoxicityofnovichokagentcandidates |
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1724459800223285248 |