hs-6 and tabun

hs-6 has been researched along with tabun* in 1 studies

Other Studies

1 other study(ies) available for hs-6 and tabun

ArticleYear
The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational study.
    Journal of biomolecular structure & dynamics, 2018, Volume: 36, Issue:13

    The oximes 4-carbamoyl-1-[({2-[(E)-(hydroxyimino) methyl] pyridinium-1-yl} methoxy) methyl] pyridinium (known as HI-6) and 3-carbamoyl-1-[({2-[(E)-(hydroxyimino) methyl] pyridinium-1-yl} methoxy) methyl] pyridinium (known as HS-6) are isomers differing from each other only by the position of the carbamoyl group on the pyridine ring. However, this slight difference was verified to be responsible for big differences in the percentual of reactivation of acetylcholinesterase (AChE) inhibited by the nerve agents tabun, sarin, cyclosarin, and VX. In order to try to find out the reason for this, a computational study involving molecular docking, molecular dynamics, and binding energies calculations, was performed on the binding modes of HI-6 and HS-6 on human AChE (HssAChE) inhibited by those nerve agents.

    Topics: Acetylcholinesterase; Chemical Warfare Agents; Cholinesterase Inhibitors; Humans; Molecular Docking Simulation; Molecular Dynamics Simulation; Nerve Agents; Organophosphates; Organophosphorus Compounds; Organothiophosphorus Compounds; Oximes; Pralidoxime Compounds; Pyridinium Compounds; Sarin

2018