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The docking study on a novel series of 7H-thiazolo(3,2-b)-1,2,4-triazin-7-one derivatives with acetylcholinesterase from Torpedo californica has demonstrated that the ligands bind to the dual- site of the enzyme. The synthesis and characterization of 7H-thiazolo(3,2-b)-1,2,4-triazin-7-one derivatives was described. The crystal structure of 6-benzyl-3-{4-(2-(1-piperidinyl)-2- oxoethoxy)phenyl}thiazolo(3,2-b)-1,2,4-triazin-7-one has been characterized by X-ray diffraction. All target compounds have been screened for their efficacy as acetylcholinesterase inhibitor. The study of AChE inhibitory activity was carried out using the Ellman colorimetric assay with huperzine-A as a reference against targets. Most of the target compounds exhibit more than 50% inhibition at 10 µM. Some derivatives showed good inhibition against AChE. The preliminary structure-activity relationships were discussed.

Design, synthesis, and biological evaluation of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives as novel acetylcholinesterase inhibitors