Synthesis and characterization of novel 1,2-oxazine-based small molecules that targets acetylcholinesterase
- Sukhorukov, A.Y.
- Nirvanappa, A.C.
- Swamy, J.
- Ioffe, S.L.
- Nanjunda Swamy, S.
- Basappa, .
- Rangappa, K.S.
DOIAbstract
Thirteen 2-oxazine-based small molecules were synthesized targeting 5-lipoxygenase (LOX), and acetylcholinesterase (AChE). The test revealed that the newly synthesized compounds had potent inhibition towards both 5-LOX and AChE in lower micro molar concentration. Among the tested compounds, the most active compound, 2-(2-acetyl-6,6-dimethyl-4-phenyl-5,6-dihydro-2H-1,2-oxazin-3- yl)methyl-1H-isoindole-1,3(2H)-dione (2a) showed inhibitory activity towards 5-LOX and AChE with an IC50 values of 1.88, and 2.5 μM, respectively. Further, the in silico molecular docking studies revealed that the compound 2a bound to the catalytic domain of AChE strongly with a highest CDOCKER score of -1.18 kcal/mol when compared to other compounds of the same ser...
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