Chemical Papers

, Volume 73, Issue 3, pp 777–782 | Cite as

Experimental hydrophilic reactivator: bisoxime with three positive charges

  • Kamil KucaEmail author
  • Eugenie Nepovimova
  • Qinghua Wu
  • Felipe Rodrigues de Souza
  • Teodorico de Castro Ramalho
  • Tanos Celmar Costa Franca
  • Kamil Musilek
Short Communication


Within this study, experimental hydrophilic acetylcholinesterase (AChE) reactivator was evaluated in vitro against selected nerve agents (cyclosarin, tabun, sarin, VX agent). High hydrophilicity of the reactivator is caused by the presence of three positive charges in its molecule. Quaternary moiety involved in the connecting chain can influence linker’s interaction with the inner of the AChE. For the detailed description of reactivator-AChE interaction, docking studies were performed on theoretical models constructed from the chrystallographic structure of Mus musculus AChE (MmAChE).


Reactivator Oxime AChE Nerve agent Docking study 



This work was supported by the Czech Science Foundation (no. 18-01734S), University of Hradec Kralove (FIM Excelence) and Ministry of Defence of the Czech Republic (long term development plan).

Compliance with ethical standards

Conflict of interest

The authors have no conflict of interest.


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Copyright information

© Institute of Chemistry, Slovak Academy of Sciences 2018

Authors and Affiliations

  1. 1.Department of Chemistry, Faculty of ScienceUniversity of Hradec KraloveHradec KraloveCzech Republic
  2. 2.College of Life ScienceYangtze UniversityJingzhouChina
  3. 3.Laboratory of Molecular Modeling Applied to the Chemical and Biological DefenseMilitary Institute of EngineeringRio de JaneiroBrazil
  4. 4.Department of ChemistryFederal University of LavrasLavrasBrazil
  5. 5.Center for Basic and Applied Research, Faculty of Informatics and ManagementUniversity of Hradec KraloveHradec KraloveCzech Republic
  6. 6.Department of Toxicology and Military Pharmacy, Faculty of Military Health PharmacyUniversity of DefenceHradec KraloveCzech Republic
  7. 7.Biomedical Research CenterUniversity Hospital Hradec KraloveHradec KraloveCzech Republic

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