Synthesis, in vitro α-glucosidase inhibitory activity and molecular docking studies of new thiazole derivatives

•New thiazole derivatives were synthesized via “one pot” multicomponent reaction.•Synthetic compounds are hybrid of carbohydrazide and thiazole scaffolds.•Compounds demonstrated α-glucosidase inhibitory properties.•Molecular docking studies were carried out.•Compounds may serve as leads for future research.

Current study based on the synthesis of new thiazole derivatives via “one pot” multicomponent reaction, evaluation of their in vitro α-glucosidase inhibitory activities, and in silico studies. All synthetic compounds were fully characterized by 1H NMR, 13C NMR and EIMS. CHN analysis was also performed. These newly synthesized compounds showed activities in the range of IC50 = 9.06 ± 0.10–82.50 ± 1.70 μM as compared to standard acarbose (IC50 = 38.25 ± 0.12 μM). It is worth mentioning that most of the compounds such as 1 (IC50 = 23.60 ± 0.39 μM), 2 (IC50 = 22.70 ± 0.60 μM), 3 (IC50 = 22.40 ± 0.32 μM), 4 (IC50 = 26.5 ± 0.40 μM), 6 (IC50 = 34.60 ± 0.60 μM), 7 (IC50 = 26.20 ± 0.43 μM), 8 (IC50 = 14.06 ± 0.18 μM), 9 (IC50 = 17.60 ± 0.28 μM), 10 (IC50 = 27.16 ± 0.41 μM), 11 (IC50 = 19.16 ± 0.19 μM), 12 (IC50 = 9.06 ± 0.10 μM), 13 (IC50 = 12.80 ± 0.21 μM), 14 (IC50 = 11.94 ± 0.18 μM), 15 (IC50 = 16.90 ± 0.20 μM), 16 (IC50 = 12.60 ± 0.14 μM), 17 (IC50 = 16.30 ± 0.29 μM), and 18 (IC50 = 32.60 ± 0.61 μM) exhibited potent inhibitory potential. Molecular docking study was performed in order to understand the molecular interactions between the molecule and enzyme. Newly identified α-glucosidase inhibitors except few were found to be completely non-toxic.

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