Discovery of a bioactive oligophenyl vinyl scaffold with anti-inflammatory, antidiabetic, and antioxidant potential

In this study, we investigate the bioactivity and molecular interaction profile of an oligophenyl vinyl scaffold, CNR2, synthesized and evaluated for its antioxidant, anti-inflammatory, and antidiabetic potentials. In vitro biological assays revealed that CNR2 exhibits significant DPPH free radical scavenging potency (IC₅₀ = 34.26 ± 0.34 µg/mL) and inhibits protein denaturation effectively (IC₅₀ = 34.83 ± 0.66 µg/mL), showing comparable efficacy to standard compounds ascorbic acid and diclofenac sodium, respectively. Antidiabetic activity assessed via inhibition of α-amylase and α-glucosidase enzymes demonstrated moderate efficacy, with IC₅₀ values of 51.69 ± 0.24 µg/mL and 33.19 ± 0.73 µg/mL, respectively, as compared to acarbose. The molecular modeling tools, like molecular docking and molecular dynamics simulations, were implemented to study the binding of ligand CNR2 to the active site of α- amylase and α-glucosidase . The studies showed that the CNR2 is a promising scaffold with potent antioxidant and anti-inflammatory properties however with moderate antidiabetic potency.