Abstract

Hyperpigmentation is caused by enhancement of melanin production that causes skin darkening. Purple sweet potato is one of the plants that is potentially developed as skin depigmentation agent because it contains anthocyanin. The most common types of anthocyanins in purple sweet potato are cyanidin and peonidin which are in vitro proven to be used as skin lightening. The objective of this study is to determine the potential of cyanidin and peonidin as skin depigmentation agent against target protein D-Dopachrome taumerase through in silico molecular docking method. The research steps include the preparation of target protein using Chimera 1.10.1 program, optimization of cyanidine and peonidin 3D structures using Hyperchem 8 program, validation of molecular docking method, and docking of cyanidine and peonidine on target protein using Autodock 4.2 program. The bond energy between cyanidin and peonidin with the target protein D-Dopachrome taumerase are -7.75 kcal / mol and -8.38 kcal / mol. The cyanidin and peonidin bond values ??are smaller than the native ligand, suggesting that the bond between the test compound (cyanidin and peonidin) with the target protein are stronger and more stable than the native ligand, so that the affinity of the test compound was greater than the native ligand. This suggests that the cyanidin and peonidin compounds in purple sweet potato have potential as a depigmentation agent by inhibiting D-Dopachrome taumerase protein.

Highlights

  • Hyperpigmentation is caused by enhancement of melanin production that causes skin darkening

  • of the plants that is potentially developed as skin depigmentation agent

  • The objective of this study is to determine the potential of cyanidin

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Summary

BAHAN DAN METODE Bahan

Struktur enzim D-Dopachrome tauomerase (PDB ID : 3KAN) yang diunduh dari http://www.rcsb.org/pdb/home.do serta. JURNAL KIMIA (JOURNAL OF CHEMISTRY) 13 (1), JANUARI 2019: 34 - 39 struktur 3 dimensi dari sianidin dan peonidin yang diGambar menggunakan aplikasi Hyperchem 8. Struktur senyawa sianidin dan peonidin yang sudah diGambar kemudian dioptimasi dengan menggunakan program HyperChem 8. Validasi Metode Docking Molecular Validasi metode docking molecular dilakukan dengan men-docking-kan kembali Native ligand pada enzim yang sudah dihilangkan native ligand-nya menggunakan program Autodock 4.2 dengan parameter RMSD. Jika nilai Root mean square distances (RMSD) ≤ 3 Å, protokol diterima dan docking senyawa uji pada enzim target dapat dilakukan (Jain dan Nicholls, 2008). Senyawa uji sianidin dan peonidin hasil optimasi selanjutnya di-docking-kan pada protein yang sudah dihilangkan native ligandnya menggunakan program Autodock 4.2. Hasil analisis akan menunjukkan konformasi energi ikatan terendah untuk berikatan dengan protein target. Semakin rendah harga energi ikatan, maka ikatannya semakin kuat dan stabil

HASIL DAN PEMBAHASAN
UCAPAN TERIMA KASIH
Review on Bio Informatics for Diabetic
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