INHIBITION ACTIVITY OF LIQUID SMOKE COCOS NUCIFERA L. ON DPP-IV AND AGE-RAGE IN SILICO AND IN VITRO: ANTIDIABETIC AND ANTI-INFLAMMATORY ACTIVITY

Abstract

Objective: The research aims to predict the inhibitory activity of liquid smoke compounds from coconut shells (Cocos nucifera L.) In silico and to determine the activity on reduction of glucose levels by the Nelson-Somogyi method and anti-inflammatory effect on the inhibition of protein denaturation in vitro. Methods: This research used biological activity prediction, physicochemical prediction, molecular docking, and in vitro analysis using a UV-Vis spectrophotometer. Results: There were 13 liquid smoke compounds from Gas Chromatography-Mass Spectrometry (GCMS) result and shows that every liquid smoke compound has wound-healing activity and complies with Lipinski's Rule of Five. Urea did not fulfil the AMES Toxicity parameter, and four compounds had the highest level of toxicity. From the docking results, the binding affinity score between liquid smoke compounds and DPP4 inhibitors ranged from-5.3 to-3.0. Meanwhile, the Advance Glycation End Products Receptors (AGE-RAGE) receptor went from -2.5 to -1.5. 13 compounds had inhibitory activity on Dipeptidyl Peptidase 4 (DPP4); meanwhile, there are 12 compounds on AGE-RAGE In silico. The activity of liquid smoke antidiabetic at 10 µg/ml was 31.26%, while quercetin was 46.36%. In the anti-inflammatory analysis, the IC50 value of the liquid smoke compound was 22.41 µg/ml, while diclofenac sodium was 0.42 µg/ml. Conclusion: The result shows that 13 liquid smoke compounds had inhibitory activity on DPP4, while 12 compounds on AGE-RAGE were In silico. The in vitro results found that liquid smoke compounds have glucose-reducing activity, and from the IC50 value, it is concluded that both compounds have potent anti-inflammatory activity.