Design, Synthesis, in Silico and in Vitro Dipeptidyl Peptidase-4 Activity of Triazole-Based Heterocyclic Compounds

1,2,3-triazole-based ring connected with pyridazine, triazine, methyl pyrazole, diphenyl pyrazole, and phthalimide moieties through propylene linker has been synthesized for antidiabetic evaluation via Click Chemistry. The antidiabetic evaluations have been done by molecular docking studies and in-vitro tests against the dipeptidyl peptidase-4 (DPP-4) Enzyme. The molecular docking studies have revealed that compounds 22, 23, 29, and 30 showed hydrogen bonds with the DPP-4 Enzyme while in-vitro tests have revealed that compound 30 has (IC₅₀ values 12.82 nM), exhibited potent activity compared to the standard drug, sitagliptin (14.8 nM). Among the heterocyclic compounds, phthalimide and pyrazole derivatives were found more potent for DPP-4 inhibitors.

DPP‐4 inhibition; click chemistry; molecular docking; synthesis; triazole‐based compounds.