Analisis Potensi Farmakokinetik dan Toksisitas Pada Curcumin (Curcuma xanthorrhiza) Sebagai Brightening Terhadap Reseptor Protein Tirosinase Secara in Silico

Abstract

Tyrosinase enzyme is an enzyme that plays an important role in melanin synthesis. This enzyme will oxidize the amino acid L-tyrosine into L- 3,4 dihydroxyphenylalanine (L-DOPA) and convert L-DOPA into DOPAquinone. Tyrosinase protein from Bacillus megaterium in complex with inhibitor kojic acid is the target protein that will interact with the ligand (Drug Candidate), Temulawak (Curcuma xanthorrhiza) is one of the medicinal plants of the Zingiberaceae family which is widely grown and used as a raw material for traditional medicine in Indonesia, the main content in Temulawak is curcumin which has antioxidant properties. Antioxidants in curcumin content can be used as ingredients for whitening preparations. In silico tests are used to predict pharmacokinetic activity and toxicity by docking using the Molegro Virtual Docker computer program. The receptor used was Protein Tyrosinase PDB code 3NQ1 with ligand KOJ_B_1351. Prediction of pharmacokinetic properties (ADME) and toxicity of Curcumin and Kojic Acid was performed using the pkCSM online tool program. Data analysis was performed by comparing the binding energy of docking results between Curcumin, Kojic Acid, and ligand on the target receptor. The in silico test results showed that the binding energy of Kurkumin =-142.766 kcal/mol, Kojic Acid = -60.6899 kcal/mol, and KOJ_B_1351 ligand =-62.266 kcal/mol. The results of in silico tests using the pkCSM online tool program show that Kurkumin compounds have good pharmacokinetic properties, and cause relatively low toxicity, and can be used as candidates for whitening materials.