Design, Synthesis, and Molecular Docking Studies of Novel Pyrazoline-Thiazoles as Cholinesterase Dual-Target Inhibitors for the Treatment of Alzheimer’s Disease
Molecular docking reveals dual-target inhibition of acetylcholinesterase and butyrylcholinesterase in novel compounds, suggesting potential Alzheimer's therapy.
Key Points
Compounds 3f and 3g demonstrated significant inhibitory effects on acetylcholinesterase, with IC50 values of 0.382 μM and 0.338 μM, respectively.
Compound 3g exhibited dual inhibitory activity on both acetylcholinesterase and butyrylcholinesterase, with an IC50 of 2.087 μM, enhancing potential therapeutic applicability.
Molecular docking studies indicated compound 3g's strong inhibitory interaction with acetylcholinesterase, comparable to the reference inhibitor tacrine, supporting its effectiveness.
Prediction of ADME properties for compounds 3f and 3g further highlights their drug-like qualities, informing future development for Alzheimer’s treatment.