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- W4321492012 abstract "Abstract Diabetes is a leading cause of kidney failure, blindness, heart attacks and lower limb amputation. Prevalence of diabetes is rising globally. α-glucosidase is validated target for controlling hyperglycemia because of its role in catalysing hydrolysis of carbohydrates to glucose in GIT. In an attempt to find novel safe and effective α-glucosidase inhibitors, coumarin linked thiazole were identified as potential scaffold on the basis of their interactions with the active site of α-glucosidase studied in silico . A series of coumarin linked thiazole derivatives were synthesized and analysed for α-glucosidase inhibitory potential in an in-vitro assay. The synthesized molecules showed potent inhibition of α-glucosidase with IC 50 values ranging from 0.14 to 9.38 μM. The most potent compound 2-((4-bromophenyl) amino)-N-(4-(2-oxo-2H-chromen-3-yl) thiazol-2-yl) acetamide was further docked with α-glucosidase and molecular dynamics studies were carried out for 100ns which suggested the stability of protein and ligand in the protein active site over the simulation period and role of hydrophobic interactions slightly more than the electrostatic/polar interactions in ligand-receptor stability. In summary, our results demonstrate efficacy of coumarin-linked thiazole as potential leads for further optimization and development." @default.
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- W4321492012 date "2023-02-22" @default.
- W4321492012 modified "2023-10-18" @default.
- W4321492012 title "Coumarin linked thiazole derivatives as potential α-Glucosidase inhibitors to treat Diabetes Mellitus" @default.
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- W4321492012 doi "https://doi.org/10.21203/rs.3.rs-2600995/v1" @default.
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