In Silico Study of Anti-Inflammatory Activity of Balangla Fruit Compounds (Litsea cubeba) as AKR1C3 Inhibitor Candidates in Osteoarthritis

Rusni Ernopita Ulan (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)
Dora Dayu Rahma Turista (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)
Herliani Herliani (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)
Miningsih Miningsih (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)
Risty Geofani (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)
Dorce Bani (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)
Sintya Sintya (Biology Education Study Program, Faculty of Teacher Training and Education, Mulawarman University, Samarinda)

Jurnal Mandala Pharmacon Indonesia
Vol. 12 No. 1 (2026): Jurnal Mandala Pharmacon Indonesia

Osteoarthritis (OA) is a joint disease characterized by thinning of the cartilage and synovial inflammation. Factors contributing to OA include aging, obesity, genetics, and lack of physical activity, with women being more frequently affected than men. This research aims to assess the potential anti-inflammatory activity of Balangla fruit (Litsea cubeba) as a candidate AKR1C3 inhibitor through an in silico approach. Molecular docking analysis was performed using the AKR1C3 receptor (PDB ID: 1S2A). Alpha-Caryophyllene and Beta-Caryophyllene showed the strongest binding affinity of -8.7 kcal/mol and -8.5 kcal/mol, respectively, indicating favorable interactions with the target receptor. Based on Lipinski's rule, it shows that compounds from Balangla fruit (L. cubeba) meet the basic parameters, in addition to showing potential as anti-inflammatory agent candidates for osteoarthritis, these compounds also have good ADME-Tox profiles with relatively low toxicity levels, thus supporting their further development as drug candidates. Therefore, further research through in vitro and in vivo testing is still needed to confirm its safety, effectiveness, and potential safety in clinical applications.