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

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Abstract

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.

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Zawawi, N. K. N. A., Taha, M., Ahmat, N., Ismail, N. H., Wadood, A., Rahim, F., & Rehman, A. U. (2015). Synthesis, in vitro evaluation and molecular docking studies of biscoumarin thiourea as a new inhibitor of α-glucosidases. Bioorganic Chemistry, 63, 36–44. https://doi.org/10.1016/j.bioorg.2015.09.004

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