AKTIVITAS DARI KUERSETIN SEBAGAI AGEN PENCERAH KULIT SECARA IN SILICO
| Main Authors: | Adnyani, K. D., Lestari, L. W. E., Prabowo, H., Siaka, P. A. I. A., Laksmiani, N. P. L. |
|---|---|
| Format: | Article info application/pdf eJournal |
| Bahasa: | eng |
| Terbitan: |
Program Studi Kimia, FMIPA, Universitas Udayana (Program of Study in Chemistry, Faculty of Mathematics and Natural Sciences, Udayana University), Bali, Indonesia
, 2019
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| Online Access: |
https://ojs.unud.ac.id/index.php/jchem/article/view/51720 https://ojs.unud.ac.id/index.php/jchem/article/view/51720/30675 |
Daftar Isi:
- 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
- ABSTRAK Peningkatan proses melanogenesis menyebabkan sintesis melanin yang berlebih sehingga terjadi penggelapan warna kulit. Proses melanogenesis membutuhkan enzim melanogenesis yang salah satunya adalah tyrosinase-related protein 1. Salah satu senyawa flavonoid yang berpotensi sebagai agen pencerah kulit adalah kuersetin. Aktivitas antioksidan dari kuersetin berperan sangat penting dalam antimelanogenesis. Penelitian ini bertujuan untuk mengetahui afinitas dan mekanisme molekuler kuersetin terhadap protein target tyrosinase-related protein 1 menggunakan metode molecular docking secara in silico. Molecular docking dilakukan melalui tahapan antara lain optimasi struktur senyawa kuersetin, preparasi protein target tyrosinase-related protein 1, validasi metode molecular docking, dan docking kuersetin pada protein tyrosinase-related protein 1. Docking kuersetin dengan tyrosinase related-protein 1 menghasilkan nilai energi ikatan -7,81 kkal/mol, sedangkan docking native ligand dengan tyrosinase related-protein 1 menghasilkan nilai energi ikatan -5,39 kkal/mol. Kuersetin memiliki afinitas yang kuat terhadap tyrosinase related-protein 1 yang ditunjukkan dari nilai energi ikatan hasil docking. Kuersetin memiliki aktivitas sebagai agen pencerah kulit secara in silico dengan mekanisme molekuler melalui penghambatan terhadap aktivitas enzim tyrosinase related-protein 1. Kata kunci : agen pencerah kulit, in silico, kuersetin, tyrosinase-related protein 1