ACS Omega, Год журнала: 2024, Номер 9(28), С. 31148 - 31158

Опубликована: Июль 3, 2024

Diabetes mellitus (DM) is a chronic disorder and still challenge throughout the world, therefore search for safe effective inhibitors α-amylase α-glucosidase increasing day by day. In this work, we try to carry out synthesis, modification, computer-aided results of biological research on thiadiazole-based Schiff base derivatives evaluate their in vitro inhibitory potential (1–15). current series, all synthesized analogues were shown have effects targeted enzymes. The IC50 values ranged from 20.10 ± 0.40 0.80 0.05 μM, compared with standard drug acarbose having an value 10.30 0.20 while α-glucosidase, 0.50 1.20 0.10 9.80 μM. For better understanding, SAR investigation was undertaken. nine scaffolds (1, 2, 3, 6, 9, 10, 11, 13, 15) more active than reference docking parameter RMSD 1.766, 2.7746, 1.6025, 2.2112, 3.5860, 2.3360, 1.6178, 2.0254, 2.0797 2.6020, 1.9509, 3.1642, 1.7547, 2.2130, 1.4221, 1.1087, respectively. toxicity selected calculated using OSIRIS tool, TPSA found be lower 140 represent drug-like properties; those Molinspiration studied as well. following properties properties. remaining (4, 5, 7, 8, 12, 14) also identified both enzymes, but they less due substituents attached aromatic parts. structures compounds confirmed through different spectroscopic analyses.

Язык: Английский