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., ...Daha Fazla

ChemistrySelect, cilt.7, sa.46, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 7 Sayı: 46
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1002/slct.202203250
  • Dergi Adı: ChemistrySelect
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier
  • Anahtar Kelimeler: benzothiazolone, cholinesterase inhibition, molecular docking, ACETYLCHOLINESTERASE, PROTEIN, BUTYRYLCHOLINESTERASE
  • Karadeniz Teknik Üniversitesi Adresli: Evet

Özet

© 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.