Abstract
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
Highlights
Indonesia merupakan negara tropis yang penuh dengan limpahan sinar matahari sepanjang tahunnya
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 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
Summary
Penggelapan warna kulit terjadi akibat produksi melanin yang berlebih pada kulit dapat disebabkan karena peningkatan aktivitas enzim tyrosinase related protein 1. 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. Hasil docking dinilai dari energi ikatan dan ikatan hidrogen yang terbentuk antara katekin dengan protein. 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. 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
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