1-(3-tert-butylphenyl)-2,2,2-trifluoroethanone as a potent transition-state analogue slow-binding inhibitor of human acetylcholinesterase: Kinetic, MD and QM/MM studies

Irina V. Zueva, Sofya V. Lushchekina, Ian R. Pottie, Sultan Darvesh, Patrick Masson

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)
Original languageEnglish
Article number1608
Pages (from-to)1-21
Number of pages21
JournalBiomolecules
Volume10
Issue number12
DOIs
Publication statusPublished - Dec 2020

ASJC Scopus Subject Areas

  • Molecular Biology
  • Biochemistry

Keywords

  • Acetylcholinesterase
  • Organophosphorus
  • Slow-binding inhibition
  • Transition state analog

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Zueva, I. V., Lushchekina, S. V., Pottie, I. R., Darvesh, S., & Masson, P. (2020). 1-(3-tert-butylphenyl)-2,2,2-trifluoroethanone as a potent transition-state analogue slow-binding inhibitor of human acetylcholinesterase: Kinetic, MD and QM/MM studies. Biomolecules, 10(12), 1-21. Article 1608. https://doi.org/10.3390/biom10121608