Synthesis, molecular docking study of thiazole derivatives and exploring their dual inhibitor potentials against α-amylase and α-glucosidase

Abstract

Diabetes mellitus is one of the most chronic metabolic diseases. The current study comprises of evaluation of thiazole as an antidiabetic agent. A library of sixteen derivatives was synthesized, characterized through different spectroscopic techniques, and evaluated against α-amylase and α-glucosidase enzymes. All derivatives displayed varied degree of α-amylase inhibition ranging from 0.6 ± 0.05 to 32.20 ± 0.50 µ M and α-glucosidase activity ranging from 0.50 ± 0.05 to 32.70 ± 0.50 µ M as compared to standard drug acarbose (IC 50 = 8.90 ± 0.10 µ M and 9.10 ± 0.10 µ M respectively). In both cases; derivative 6 (IC 50 = 0.6 ± 0.05 µ M & 0.50 ± 0.05 µ M) were found potent among the series. Structural activity relationship has been established for all derivatives which mainly depend upon nature, position, and number of substituent/s on the phenyl ring. A molecular docking study was carried out to find the binding interaction of the most potent derivatives with active sites of enzymes.