Antidiabetic Activity of Daun Wungu (Graptophyllum pictum L. Griff) Extract via Inhibition Mechanism of TNF-α, IL-6, and IL-8: Molecular Docking and Dynamic Study

Diabetes is caused by many factors such as hyperglycemia conditions, it triggers type 1 and 2 diabetes. Hyperglycemia was triggered by the inhibition of glucose absorption of cells and triggers an increase in ROS, insulin signaling can be disrupted due to high ROS levels, the cycle will repeat and then trigger fat accumulation, increase in proinflammatory cytokines, and exacerbate the disease. Previous studies have explained the benefits of Daun Wungu (Graptophyllum pictum L. Griff) to inhibit the activity of proinflammatory cytokines, but the molecular mechanism has not been identified. Prediction of the molecular mechanism of compound activity from Daun Wungu (Graptophyllum pictum L. Griff) with proinflammatory receptors was carried out using an bioinformatics approach, the methods used were preparation, drug-likeness prediction, docking, molecular interaction, and dynamic simulation. The results showed that quinoline compounds from Daun Wungu (Graptophyllum pictum L. Griff) had more negative binding energy with more stable chemical bonds and were predicted to inhibit the activity of proinflammatory cytokines consisting of TNF-, IL-6, and IL-8 proteins.