‘Dawa-ul-kurkum’, a Potential Anti-Diabesity Polyherbal Formulation: Phyto-Metabolomics, Network Pharmacology, Molecular Docking and Simulation Studies Supported by <i>in vitro</i> Activity

Given the growing prevalence of diabesity and the limitations of conventional treatments, this research aims to identify alternative therapeutic strategies rooted in traditional medicine. This study aims to establish the anti-diabesity potential of a polyherbal formulation “Dawa-ul-kurkum” (DK) through experimental profiling of phytochemicals supported by network pharmacological investigation. Various classes of phytochemicals present in DK were identified using LC-MS/MS-QTOF profiling. Network pharmacology analysis revealed that several genes related to these phytoconstituents are involved in diabesity. Molecular docking and simulation studies further confirmed that numerous phytoconstituents interacted with key diabesity targets. The activity was validated by relevant in vitro assays. The research findings demonstrate that the polyherbal formulation has potent anti-oxidant and anti-diabetic activity, reducing oxidative stress and improving insulin sensitivity. The LC-MS/MS-based Network Pharmacology analysis provides information on the molecular level of this polyherbal formulation. Molecular docking and simulation studies offer insight into the structure-activity link between phytoconstituents and the proteins (genes) responsible for diabesity. Overall, this study provides a scientific basis for repurposing traditional Unani medicine as a viable alternative treatment for diabesity. It highlights the potential of applying modern drug discovery and pharmacology approaches for rational and effective utilization of traditional medicine.