Exploring the anti-diabetic potential of stevia-derived compounds through PPAR-γ targeted molecular docking

  • Amalia Sonita Putri Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Ertika Agtha Prawicha Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Esterike Alfatien Putri Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Indah Wulandari Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Mutiara Anggun Saputri Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Nadia Nur Syakilla Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Putri Aulia Nurul Hidayati Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung
  • Winni Nur Auli Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung http://orcid.org/0000-0001-6918-0319
  • Anjar Hermadi Saputro Department of Pharmacy, Faculty of Science, Institut Teknologi Sumatera, South Lampung https://orcid.org/0000-0003-1055-4747
Keywords: diabetes mellitus, stevia, molecular docking, ppar-gamma

Abstract

This study explores the potential of Stevia rebaudiana Bertoni-derived compounds as anti-diabetic agents by targeting the peroxisome proliferator-activated receptor gamma (PPAR-γ), a key regulator of glucose metabolism. Utilizing in silico molecular docking, we evaluated the binding affinities of four stevia-derived compounds (dulcoside A, steviol, isosteviol, steviolmonoside) and compared them to the native ligand (J35) and the well-known PPAR-γ agonist, rosiglitazone. Isosteviol exhibited the strongest binding affinity to PPAR-γ, with a binding energy of -8.89 kcal/mol, surpassing that of rosiglitazone (-8.26 kcal/mol) and closely following the native ligand (-9.01 kcal/mol). The interactions between isosteviol and PPAR-γ included multiple hydrogen bonds and hydrophobic interactions. These findings indicate that isosteviol, along with other stevia-derived compounds, has a potential as a natural anti-diabetic agent.

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Published
2024-09-03
How to Cite
Putri, A. S., Prawicha, E. A., Putri, E. A., Wulandari, I., Saputri, M. A., Syakilla, N. N., Hidayati, P. A. N., Auli, W. N., & Saputro, A. H. (2024). Exploring the anti-diabetic potential of stevia-derived compounds through PPAR-γ targeted molecular docking. Pharmacy Reports, 3(2), 78. https://doi.org/10.51511/pr.78