Insilico Evaluation of Arachis Hypogaea (Linn) for its Potential Antiobesity Activity

Obesity is a complex metabolic disorder associated with serious health complications, including cardiovascular diseases, diabetes, and dyslipidemia. The growing demand for safer and sustainable anti-obesity therapeutics has encouraged the exploration of bioactive compounds from plant-derived waste materials. In the present study, an insilico approach was employed to evaluate the anti-obesity potential of phytoconstituents obtained from the hulls of Arachis hypogaea. Obesity-related target proteins with PDB IDs 9MIZ and 9VG4, involved in lipid metabolism and adipogenesis, were retrieved from the PDB. Optimized Ligand structures were taken from PubChem Molecular docking was carried out using AutoDock Vina to predict binding affinities and interaction profiles. Post-docking analysis of ligand–protein interactions, was conducted using Discovery Studio. To evaluate the drug-likeness and pharmacokinetic suitability of the docked compounds, ADME and toxicity profiling was performed using computational prediction tools. Compounds were screened based on Lipinski’s Rule of Five and Ghose filter criteria, and additionally, toxicity parameters overall safety profiles were predicted to identify suitable lead candidates. The results demonstrated that several phytoconstituents, from Arachis hypogaea exhibited strong binding affinities toward both targets and successfully satisfied drug-likeness, ADME, and toxicity criteria. This study highlights the potential of plant waste materials as promising, eco-friendly sources of anti-obesity agents.