In silico and in vitro evaluation of phytoconstituents for their NADPH Oxidase 5 (NOX5) inhibitory activity

Background

Reactive oxygen species (ROS), produced by different enzymes, play a role in oxidative stress, which is linked to the development of many diseases. The NADPH oxidase (NOX) enzyme family serves as a primary source of ROS, with NOX5 being a comparatively underexplored member regarding antioxidant activity and therapeutic targeting.

Materials and Methods

A computational screening method was utilized to discover selective NOX5 inhibitors from a collection of phytochemicals. Promising compounds found via computational docking were subsequently evaluated for their capacity to inhibit ROS production using in-vitro tests, such as Nitroblue Tetrazolium (NBT) and cytochrome C reductase assays.

Results

Multiple phytochemicals—Tanshinone IIa, Quercetin, Curcuminoids, Berberine, and Resveratrol-showed significant NOX5 inhibitory effects. These compounds demonstrated advantageous pharmacokinetic characteristics and drug-likeness attributes, suggesting their promise as therapeutic options.

Conclusion

This research discovers natural substances with potential NOX5 inhibitory effects and favourable drug-like properties, indicating their promise as antioxidant agents for treating ROS-related conditions.