Journal of Innovative Pharma and Drug Sciences | Volume 1 Issue 1 | Pages: 24-37

Research Article

OPEN ACCESS | Published on : 30-Jun-2026

Computational assessment of bioactives from Phyllanthus emblica leaves as potential anti-obesity agents

Sakshi Ubale
• Postgraduate Student, Department of Pharmacognosy, Priyadarshini J. L. College of Pharmacy, Nagpur-16, Maharashtra, India 440016.


• Shailju Gurunani
• Assistant Professor, Department of Pharmacognosy, Priyadarshini J. L. College of Pharmacy, Nagpur-16, Maharashtra, India 440016.

Abstract

Obesity is a chronic metabolic disorder associated with serious health complications, including cardiovascular diseases, type 2 diabetes mellitus, and dyslipidemia. The increasing prevalence of obesity has created a need for safer and more sustainable therapeutic alternatives. Plant-derived waste materials are rich sources of bioactive compounds and offer significant potential for drug discovery. The present study investigated the anti-obesity potential of phytoconstituents obtained from amla leaves (Phyllanthus emblica) using an in-silico approach. Obesity-related target proteins (PDB IDs: 9MIZ and 9VG4) involved in lipid metabolism and adipogenesis were selected for molecular docking studies. Ligand structures were retrieved from the PubChem database and docked using AutoDock Vina. Protein–ligand interactions were analyzed using Discovery Studio Visualizer. Drug-likeness and pharmacokinetic properties were evaluated through ADME analysis, while toxicity prediction was performed to assess safety profiles. The results demonstrated that several phytoconstituents exhibited favourable binding affinities toward both target proteins and formed stable interactions with key amino acid residues. Furthermore, selected compounds satisfied Lipinski’s Rule of Five and Ghose filter criteria, showed acceptable ADME characteristics, and exhibited low predicted toxicity. These findings suggest that phytoconstituents derived from plant waste materials possess promising anti-obesity potential and may serve as lead candidates for further development. However, experimental validation through in vitro and in vivo studies is required to confirm their efficacy and safety.

Keywords

obesity, molecular docking, plant waste, Phyllanthus emblica, ADME, toxicity prediction, anti-obesity activity

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