Investigating the potential of novel thiazole derivatives in treating Alzheimer’s and Parkinson’s diseases

Asfour A. A. R., EVREN A. E., SAĞLIK ÖZKAN B. N., YURTTAŞ L.

Journal of Biomolecular Structure and Dynamics, cilt.44, sa.6, ss.2939-2955, 2026 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 44 Sayı: 6
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1080/07391102.2024.2437521
  • Dergi Adı: Journal of Biomolecular Structure and Dynamics
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE
  • Sayfa Sayıları: ss.2939-2955
  • Anahtar Kelimeler: acetylcholinesterase inhibitors, molecular docking, molecular dynamic simulation studies, neurodegenerative disorders, Thiazole derivatives
  • Bilecik Şeyh Edebali Üniversitesi Adresli: Hayır

Özet

The study aimed to investigate 12 novel thiazole compounds in the treatment of neurodegenerative disorders. The compounds produced were evaluated for their inhibitory efficacy against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and monoamine oxidases (MAOs). Among the compounds, 5d, 5e, and 5j showed the highest AChE inhibitory activity. The IC50 values for compounds are 0.223 ± 0.010 µM, 0.092 ± 0.003 µM, and 0.054 ± 0.002 µM, respectively. In addition, molecular docking analyses and molecular dynamic simulation were used to examine the interactions of these compounds with protein sites. The results suggest that thiazole-ring compounds could serve as a promising basis for the development of drugs aimed at treating neurodegenerative diseases (NDD), caused by Parkinson’s and Alzheimer’s diseases.