AKTIVITAS AGEN PENCERAH KULIT DARI KATEKIN SECARA IN SILICO
| Main Authors: | Giantari, N. K. M., Prayoga, I W. I., 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/51718 https://ojs.unud.ac.id/index.php/jchem/article/view/51718/30673 |
Daftar Isi:
- Darkening of the skin results from excessive production of melanin in the skin caused by an increase in tyrosinase related protein 1 enzyme activity. Catechins are flavonoid compounds which contain antioxidants. This study aims to determine the affinity and mechanism of catechins as skin lightening agents by inhibiting tyrosinase related protein 1 target proteins in silico using molecular docking methods. The study was carried out exploratively with the stages of preparing a database of 3D structures of catechins and tyrosinase related protein 1, optimization of 3D structure of catechins, protein preparation, validation of molecular docking methods, and docking of catechins in tyrosinase related protein 1. Docking results are assessed from the bonding energy and hydrogen bonds formed between catechins and proteins. The smaller the bond energy value, the stronger the bond between the catechins and proteins. The results showed that catechins had activity as skin lightening agents because they were able to inhibit the tyrosinase related protein 1 with a bond energy value of -6,35 Kcal/mol. The energy value of the catechin bond with the tyrosinase related protein 1 is smaller than the tyrosinase related protein 1 with its native ligand. This shows that catechins have greater potential and affinity in inhibiting the tyrosinase related protein 1 enzyme with hydrogen bonds on amino acid residues, namely ARG374. Based on the results obtained, catechins have activity as skin lightening agents with the mechanism of inhibiting the tyrosinase related protein 1 enzyme so that the amount of eumelanin formed is less and the skin becomes brighter. Key words: catechins, skin lightening, tyrosinase related protein 1, in silico, molecular docking
- Penggelapan warna kulit terjadi akibat produksi melanin yang berlebih pada kulit dapat disebabkan karena peningkatan aktivitas enzim tyrosinase related protein 1. Katekin merupakan senyawa golongan flavonoid yang memiliki kandungan antioksidan. Penelitian ini bertujuan untuk mengetahui afinitas dan mekanisme katekin sebagai agen pencerah kulit melalui penghambatan protein target tyrosinase related protein 1 secara in silico dengan menggunakan metode molecular docking. Penelitian dilakukan secara eksploratif dengan tahapan penyiapan database struktur 3D katekin dan protein tyrosinase related protein 1, optimasi struktur 3D katekin, preparasi protein, validasi metode molecular docking, serta docking katekin pada protein tyrosinase related protein 1. Hasil docking dinilai dari energi ikatan dan ikatan hidrogen yang terbentuk antara katekin dengan protein. Semakin kecil nilai energi ikatan maka ikatan antara katekin dengan protein semakin kuat dan stabil. Hasil penelitian menunjukkan bahwa katekin memiliki aktivitas sebagai agen pencerah kulit karena mampu menghambat protein tyrosinase related protein 1 dengan nilai energi ikatan yaitu -6,35 kkal/mol. Nilai energi ikatan katekin dengan protein tyrosinase related protein 1 lebih kecil dibandingkan dengan protein tyrosinase related protein 1 dengan native ligand-nya. Hal ini menunjukkan bahwa katekin memiliki potensi dan afinitas yang lebih besar dalam menghambat enzim tyrosinase related protein 1 dengan ikatan hidrogen pada asam amino yaitu ARG374. Berdasarkan hasil yang diperoleh, katekin memiliki aktivitas sebagai agen pencerah kulit dengan mekanisme menghambat enzim tyrosinase related protein 1 sehingga jumlah eumelanin yang terbentuk semakin sedikit dan kulit menjadi lebih cerah. Kata kunci : katekin, pencerah kulit, tyrosinase related protein 1, in silico, molecular docking