Fig 1.
Representative structures of thiazole- and thiazole carboxamide-based agents demonstrating significant dual antioxidant and antidiabetic activities.
Table 1.
IC50 values (µM) of Thiazole-Carboxamide Compounds and Positive Controls on DPPH, and Percentage of Inhibition of α-Amylase.
Fig 2.
% of inhibition of thiazole-carboxamide derivatives against α-Amylase.
Table 2.
The Interaction profiles, docking scores, and binding energies of the tested chemical structures within their respective binding domains.
Fig 3.
Molecular docking simulations of LMH6 (A), LMH7 (B), and Trolox (C) within the binding site of the Keap1 protein (PDB ID: 2FLU).
Yellow, magenta, and blue represent hydrogen bonds, salt bridges, and aromatic hydrogen bonds, respectively.
Fig 4.
Molecular docking simulations of LMH2 (A), LMH4 (B), and acarbose (C) within the binding site of the Human pancreatic alpha-amylase (PDB ID: 4W93).
Yellow, magenta, and blue represent hydrogen bonds, salt bridges, and aromatic hydrogen bonds, respectively.
Fig 5.
The 3D highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) profiles of LMH6 and Trolox structures.
Table 3.
Descriptors obtained from DFT analysis.
Fig 6.
Electrostatic potential profiles of LMH6 and Trolox molecules, depicted as solid surfaces.
Table 4.
Drug-likeness model’s score for Thiazole-carboxamide compounds.