Synthesis, AChE and BuChE Inhibitory Activity, and Computational Evaluation of Pyrazole-Based Acrylonitrile Derivatives


BİÇER A.

ChemistrySelect, cilt.10, sa.39, 2025 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 10 Sayı: 39
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1002/slct.202502892
  • Dergi Adı: ChemistrySelect
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier
  • Anahtar Kelimeler: AChE, Acrylonitrile, BuChE, Knovenegal, Pyrazole
  • Bilecik Şeyh Edebali Üniversitesi Adresli: Evet

Özet

2,3-disubstituted heteroaryl acrylonitrile derivatives (7a-e) were synthesized by Konevenagel reaction of pyrazole aldehyde (5) with substituted benzylacetonitrile compounds. The moleculer structures of the synthesized compounds were determined by IR, 1H-NMR, and 13C-NMR spectroscopic techniques. The inhibition properties of acrylonitrile derivatives against AChE and BuChE enzymes were investigated. The molecule (7e) showed the best result for both enzymes in the inhibition tests using with tacrine as a reference. (7e) molecule showed the best AChE inhibition (IC50: 1.195 µM) and BuChE inhibition (IC50: 5.172 µM). The binding affinity of compound (7e) to proteins (4EY7 and 4BDS) was found to be highest for −7.806 at 4EY7 and −7.417 kcal/mol 4BDS, respectively.