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

Putri, Amalia Sonita
Prawicha, Ertika Agtha
Putri, Esterike Alfatien
Wulandari, Indah
Saputri, Mutiara Anggun
Syakilla, Nadia Nur
Hidayati, Putri Aulia Nurul
Auli, Winni Nur
Saputro, Anjar Hermadi

Pharmacy Reports
Vol. 3 No. 2 (2023): Pharmacy Reports

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.