Design, Synthesis, and Evaluation of New Pyrazolines As Small Molecule Inhibitors of Acetylcholinesterase.

ABSTRACT: In pursuit of identifying small molecule inhibitors of acetylcholinesterase (AChE), the synthesis of new 2-pyrazolines was performed efficiently. A modified spectrophotometric method was used to examine their inhibitory effects on AChE as well as butyrylcholinesterase. Four compounds (2a, 2g, 2j, and 2l) were identified as selective AChE inhibitors. Molecular docking studies were conducted to explore their potential interactions with the active site of AChE (PDB code: 4EY7). 1-(3-Nitrophenyl)-3-(thiophen-3-yl)-5-[4-(4-morpholinyl)phenyl]-2-pyrazoline (2l) exerted significant AChE inhibitory action with an IC₅₀ value of 0.040 μM close to donepezil (IC₅₀ = 0.021 μM). In addition to π-π interactions with Tyr341, Tyr124, and Trp86 residu

SUBMITTER: Altıntop MD 

PROVIDER: S-EPMC11270571 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature