ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Experimental hydrophilic reactivator: bisoxime with three positive charges

Kamil Kuca, Eugenie Nepovimova, Qinghua Wu, Felipe Rodrigues de Souza, Teodorico de Castro Ramalho, Tanos Celmar Costa Franca, and Kamil Musilek

University of Hradec Kralove, Hradec Kralove, Czech Republic

E-mail: kamil.kuca@fnhk.cz

Abstract: 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).

Keywords: Reactivator ; Oxime ; AChE ; Nerve agent ; Docking study 

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-018-0612-6

Chemical Papers 73 (3) 777–782 (2019)