Discovery of a bioactive oligophenyl vinyl scaffold with anti-inflammatory, antidiabetic, and antioxidant potential
TL;DR
The studies showed that the CNR2 is a promising scaffold with potent antioxidant and anti-inflammatory properties however with moderate antidiabetic potency.
Abstract
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. A chemical structure is connected by arrows to three labels indicating its properties: anti-inflammatory, antidiabetic, and antioxidant.