Thiosemicarbazone derivatives as potential inhibitors of acetylcholinesterase, butyrylcholinesterase and their molecular docking studies

• Published in: Chemical Data Collections 2023-06, Vol.45, p.101014, Article 101014
• Main Authors: AL-Zahrani, Asla A., Awwad, Nasser S, Ibrahium, Hala A., Hayat, Shawkat, Ullah, Hayat, Javed, Zarqa, Rahim, Fazal, Khan, Muhammad Saleem, Zada, Hussan, Rab, Abdur, Raza, Khalid, Wadood, Abdul
• Format: Article
• Language: English
• Subjects: Acetylcholinesterase; Butyrylcholinesterase; Molecular docking study; Synthesis; Thiosemicarbazone
• ISSN: 2405-8300; 2405-8300
• DOI: 10.1016/j.cdc.2023.101014

Alzheimer's disease (AD) is a well-known neurological disease that affects a lot of older people around the world. Many single-targeted medicines that have reached clinical trials have failed because AD is a complex illness. Because of this, many things about AD have been taken into account when making targeted drugs. We have designed and synthesised thiosemicarbazone derivatives (1–14), and against acetylcholinesterase and butyrylcholinesterase enzymes. All derivatives demonstrated varying degrees of inhibition, ranging from 0.40 ± 0.05 to 17.30 ± 0.20 µM (AChE) & 1.50 0.10 to 37.40 0.30 µM (BuChE) as compared to reference drug donepzil (IC50 = 2.16 ± 0.12 & 4.5 ± 0.11 M respectively). Most effective in the entire series for AChE and BuChE is derivative 6 (IC50 = 0.40 ± 0.05 & 1.50 ± 0.10 µM, respectively). To study how most potent compounds interacted with active site of enzymes, molecular docking study was carried out.