From Ethnobotany to Molecular Insight: Integrated In silico Discovery of DPP-4 Inhibitors from Stelechocarpus burahol (Blume) Fruit

Bintang Khoirun Nadzifah (Universitas Nusantara PGRI Kediri)
Tutut Indah Sulistiyowati (Universitas Nusantara PGRI Kediri)
Poppy Rahmatika Primandiri (Universitas Nusantara PGRI Kediri)
Suparman (Universitas Khairun)
Seagames Waluyo (PT. Sciencewerke Indonesia)
Sakuntala Ninkaew (Khon Kaen University)
Nor Hasniza Ibrahim (Universiti Teknologi Malaysia)
Agus_Muji Santoso (Universitas Nusantara PGRI Kediri)

Jurnal Florea
Vol. 13 No. 2 (2026)

Diabetes mellitus remains a major global health challenge, encouraging the exploration of natural products as alternative therapeutics. Stelechocarpus burahol (kepel), an ethnobotanically significant Indonesian fruit traditionally consumed for its health benefits, represents a promising source of bioactive compounds. This study aimed to integrate ethnobotanical knowledge with molecular insights by identifying potential antidiabetic compounds using an in silico approach. A total of 66 phytochemical compounds were screened through drug-likeness, ADMET, and biological activity prediction, followed by molecular docking against Dipeptidyl Peptidase-4 (DPP-4) (PDB ID: 6B1E). The docking protocol was validated (RMSD 1.697 Å). Several phenolic compounds showed strong binding affinity, particularly gallocatechol (−8.4 kcal/mol), catechin (−8.2 kcal/mol), and 6-hydroxyluteolin (−8.1 kcal/mol), outperforming the native ligand. These findings highlight the potential of S. burahol as a natural source of DPP-4 inhibitors.