Synthesis of Novel Thiosemicarbazones and Their Molecular Docking Simulations as Inhibitors of α-Amylase and α-Glycosidase Enzymes

Siwar Ghannay; Lama Alharabi; Sabri Messouadi; Kaiss Aouadi

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Research Article

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Synthesis of Novel Thiosemicarbazones and Their Molecular Docking Simulations as Inhibitors of α-Amylase and α-Glycosidase Enzymes

Siwar Ghannay, Lama Alharabi, Sabri Messouadi, Kaiss Aouadi

Received: 2024-10-13, Accepted: 2024-11-24, Published: 2024-12-31

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This article was originally published by Qassim University and was migrated to Scientific Scholar after the change of Publisher.

Abstract

In this study, a new chiral aldehyde featuring an isoxazolidine scaffold was synthesized. This compound served as a precursor for the preparation of three novel isoxazolidine-thiosemicarbazone hybrids. In a molecular docking study (MDS), compound 7a emerged as the top performer, showing the highest binding affinity with binding energies of -8.5 kcal/mol for alpha-amylase and -7.5 kcal/mol for alpha-glucosidase.