Design, Synthesis, and Biological Evaluation of Some Benzothiazolone Derivatives as Cholinesterase Inhibitors

ALAGÖZ M. A., AKKAYA D., ARSLAN G., Uludağ B., ÖZDEMİR Z., BARUT B., ...More

ChemistrySelect, vol.7, no.46, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 7 Issue: 46
  • Publication Date: 2022
  • Doi Number: 10.1002/slct.202203250
  • Journal Name: ChemistrySelect
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier
  • Keywords: benzothiazolone, cholinesterase inhibition, molecular docking
  • Hacettepe University Affiliated: Yes

Abstract

© 2022 Wiley-VCH GmbH.In this study, nine new benzothiazolone derivatives (6 a–i) were designed and synthesized to identify potent cholinesterase inhibitors. The compounds were tested in vitro against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) and found to be selective to BChE. Compound 6 f proved the most potent derivative (IC50=12.25±0.23 μM) against BChE and was identified as a mixed-type inhibitor with a Ki value of 4.45±0.35 μM according to the kinetic studies. Molecular modelling suggested that the derivatives were druglike and non-PAINS. Compound 6 f showed good fit in BChE active site interacting with the key sites important for enzyme activity according to the molecular docking study.