One-Pot Synthesis of Oxadiazole-Imidazole Scaffolds: Anti-Inflammatory, Antioxidant Activity, Molecular Docking, Solvatochromism, and DFT Studies

A series of novel oxadiazole-imidazole scaffolds were successfully synthesized using a one-pot synthesis method. Thus, synthesized compounds were characterized by FT-IR, 1H, 13C NMR, and LC-MS techniques. The biological activities of these compounds are evaluated through in vitro studies, including anti-inflammatory activity assessed by the denaturation of bovine serum albumin (BSA) and antioxidant activity determined by the DPPH free radical scavenging assay. One of the compounds exhibited the most potent activity with IC50 values of 25.5 µM for anti-inflammatory and 30.1 µM for antioxidant activity, surpassing the efficacy of standard drugs used in this investigation. Additionally, molecular docking studies were conducted using Human peroxiredoxin 5 revealing that the same compound demonstrated favorable binding interactions. These findings reveal that this compound is a promising candidate for further development as a drug-like candidate.