Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases

• Synthesis of biscoumarin derivatives 1–18.
• In vitro α-glucosidase inhibitory activity.
• Some of compounds are more active than standard drug.
• Structure–activity relationship has been established.
• Docking study.

Biscoumarin analogs 1–18 have been synthesized, characterized by EI-MS and 1H NMR and evaluated for α-glucosidase inhibitory potential. All compounds showed variety of α-glucosidase inhibitory potential ranging in between 13.5 ± 0.39 and 104.62 ± 0.3 μM when compared with standard acarbose having IC50 value 774.5 ± 1.94 μM. The binding interactions of the most active analogs were confirmed through molecular docking. The compounds showed very good interactions with enzyme. All synthesized compounds 1–18 are new. Our synthesized compounds can further be studied to developed lead compounds.

Biscoumarin thiourea derivatives (1–18) evaluated for α-glucosidases inhibitory activity.Figure optionsDownload as PowerPoint slide