Open AccessAKTIVITAS DARI KUERSETIN SEBAGAI AGEN PENCERAH KULIT SECARA IN SILICO
Author(s) -
K. D. Adnyani,
L. W. E. Lestari,
H. Prabowo,
P. A. I. A. Siaka,
Ni Putu Linda Laksmiani
Publication year - 2019
Publication title -
jurnal kimia (journal of chemistry)/jurnal kimia (jurusan kimia, fakultas matematika dan ilmu pengetahuan alam universitas udayana)
Language(s) - English
Resource type - Journals
eISSN - 2599-2740
pISSN - 1907-9850
DOI - 10.24843/jchem.2019.v13.i02.p14
Subject(s) - tyrosinase , quercetin , docking (animal) , in silico , chemistry , enzyme , biochemistry , target protein , flavonoid , antioxidant , gene , medicine , nursing
Increasing melanogenesis process causes excessive melanin synthesis resulting in darkening of the skin color. The melanogenesis process requires mealnogenesis enzymes, one of which is tyrosinase-related protein 1. One of the flavonoid compounds that has the potential as a skin lightening agent is quercetin. The antioxidant activity of quercetin plays a very important role in antimelanogenesis. This study aims to determine the affinity and molecular mechanism of quercetin on the target protein tyrosinase-related protein 1 using in silico molecular docking method. Molecular docking is carried out through stages including optimization of the structure of quercetin compounds, preparation of the target protein tyrosinase-related protein 1, validation of the molecular docking method, and docking of quercetin on the tyrosinase-related protein 1. Docking of quercetin with tyrosinase-related protein 1 produces binding energy values of -7.81 kcal/mol, while docking of native ligand with tyrosinase-related protein 1 produces binding energy values of -5.39 kcal/mol. Quercetin has a strong affinity for tyrosinase-related protein 1 which is indicated by the binding energy from the docking results. Quercetin has activity as a skin whitening agent with in silico test with molecular mechanisms through inhibition of the activity of tyrosinase-related protein 1 enzyme.
Keywords: skin whitening agent, in silico, quercetin, tyrosinase-related protein 1