Biological, computational evaluation of novel benzofuranyl derivatives as acetylcholinesterase and butyrylcholinesterase

Usanmaz H., Taş Ö., Ekinci D., Uba A. I., Atmaca U.

FUTURE MEDICINAL CHEMISTRY, cilt.16, sa.11, ss.1075-1085, 2024 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 16 Sayı: 11
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1080/17568919.2024.2342641
  • Dergi Adı: FUTURE MEDICINAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, EMBASE, MEDLINE
  • Sayfa Sayıları: ss.1075-1085
  • Anahtar Kelimeler: acetylcholinesterase, Alzheimer's disease, benzofuranyl, butyrylcholinesterase, molecular modeling
  • Atatürk Üniversitesi Adresli: Evet

Özet

Aim: A highly efficient one-step method has been developed for the synthesis of benzofuranyl derivatives from 2-benzoylcyclohexane-1-carboxylic acid derivatives using chlorosulfonyl isocyanate. This novel method provides a practical, cost-effective and efficient approach. Materials & methods: The inhibitory effects of benzofuranyl derivatives on acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes were investigated. Ki values were determined to range from 0.009 to 0.61 mu M for AChE and 0.28 to 1.60 mu M for BChE. Molecular docking analysis provided insights into the interaction modes and binding patterns of these compounds with AChE and BChE. Conclusion: Kinetic findings of our study suggest that some of our compounds exhibited more effective low micromolar inhibition compared with the reference, and these derivatives could be to design more powerful agents.