Абстрактный

Molecular Docking, Synthesis, In Vitro Assay and Kinetic Study of (2E)-3-(Aryl)-1-(thiophen-2-yl) prop-2-en-1-one Derivatives as New Scaffold of Acetylcholinesterase Inhibitors

Ahmed Mutanabbi Abdula, Balqiz W. Al-Ahdami, Wafaa F. Rodhan and Nisreen K. Abood

Docking study of some (2E)-3-(aryl)-1-(thiophen-2-yl)prop-2-en-1-ones in the binding pocket of Acetylcholinesterase (AChE), using Auto Dock 4.2 were achieved. Hits that exhibit promising binding affinity within the active site of enzyme, comparing with rivastigmine as standard were synthesized and In Vitro tested against human AChE using modified Ellmann's method. The kinetics of this new type of AChE inhibitors were studied in detail using one derivative as an example. Lineweaver-Burk plot described the new hits as competitive inhibitors.