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Explore new quinoxaline pharmacophore tethered sulfonamide fragments as in vitro α‐glucosidase, α‐amylase, and acetylcholinesterase inhibitors with ADMET and molecular modeling simulation
New quinoxaline-linked sulfonamide compounds as lab-tested inhibitors of sugar-digesting and brain enzymes with safety and computer modeling analysis
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Abstract
Quinoxaline-sulfonamide derivatives exhibited inhibitory percentages against α-amylase ranging from 24.34 ± 0.01% to 75.36 ± 0.01%.
- The bis-sulfonamide quinoxaline derivative 4 showed the highest inhibitory activity against α-glucosidase and α-amylase with percentages of 75.36 ± 0.01% and 63.09 ± 0.02%, respectively.
- Acarbose demonstrated lower inhibitory activity against α-glucosidase and α-amylase with percentages of 57.79 ± 0.01% and 67.33 ± 0.01%.
- Quinoxaline derivative 3 also exhibited significant inhibitory effects on α-glucosidase (44.93 ± 0.01%) and α-amylase (38.95 ± 0.01%).
- In vitro acetylcholinesterase inhibition was observed in the derivatives, with compound 3 showing the highest activity at 41.92 ± 0.02%, compared to donepezil (67.27 ± 0.60%).
- The study included computational analyses such as DFT calculations, docking simulation, target prediction, and ADMET analysis.
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