BIOINFORMATICS STUDY: THE POTENCY OF Syzygium samarangense STEM BARK DICHLOROMETHANE EXTRACT AS ANTI-MELASMA AND ANTI-ACNE
Abstract
Syzygium samarangense mengandung senyawa flavonoid telah terbukti bermanfaat. Penelitian sebelumnya mengungkapkan bahwa aurentiacin, pinocembrin, stercurensin, dan uvangoletin sebagai bahan kimia bioaktif terdapat pada kulit batang tanaman. Senyawa ini terbukti memiliki aktivitas antioksidan yang sangat baik. Namun, belum ada penelitian mengenai potensinya sebagai agen anti melasma dan anti jerawat. Penelitian ini berupaya melihat keempat bahan kimia tersebut berpotensi sebagai penghambat tyrosinase (TYRP1) anti melasma dan penghambat androgen (AR) anti jerawat dengan menggunakan teknologi biokomputasi. Studi ini mencakup analisis druglikeness Lipinski dan molecular docking menggunakan protein TYRP1 dan AR dengan hidrokuinon dan clascoterone sebagai obat kontrol. Analisis lebih lanjut dilakukan dengan prediksi PASS-Online untuk mendukung potensi senyawa. Hasilnya menunjukkan bahwa semua senyawa berpotensi menjadi agen anti melasma dan anti jerawat yang efektif, dengan pinocembrin (-7.4 kkal/mol untuk TYRP1; -8.8 kkal/mol untuk AR) menjadi senyawa yang paling manjur. Senyawa ini memenuhi aturan kemiripan obat Lipinski dan didukung oleh prediksi PASSOnline bahwa senyawa tersebut berpotensi sebagai pemutih kulit dan antagonis androgen. Namun, penelitian lebih lanjut, termasuk penelitian in vitro dan in vivo, diperlukan untuk memastikan potensinya sebagai agen anti melasma dan anti jerawat.
Kata kunci: anti-jerawat, anti-melasma, jerawat, hiperpigmentasi, molecular docking.
ABSTRACT
Syzygium samarangense containing flavonoid compounds have been proven to be beneficial. Previous research revealed that the aurentiacin, pinocembrin, stercurensin, and uvangoletin as bioactive chemicals were present in the plant stem bark. These compounds have been found to have excellent antioxidant activity. However, there has been no research on their potential as anti-melasma and anti-acne agents. This research attempts to look into these four chemicals potential as anti-melasma tyrosinase inhibitors and anti-acne androgen inhibitors using biocomputation technology. The study included druglikeness and molecular docking analyses using TYRP1 and AR proteins with hydroquinone and clascoterone as control drugs. Further analysis was carried out with PASS-Online predictions to support the potency of compounds. The results indicated that all compounds have the potential to be effective anti-melasma and anti-acne agents, with pinocembrin (-7.4 kcal/mol for TYRP1; -8.8 kcal/mol for AR) being the most potent compound. These compounds fulfilled Lipinski's druglikeness rules and were supported by PASSOnline's predictions that they have potential as skin whiteners and androgen antagonists. However, further research, including in vitro and in vivo studies, is necessary to confirm their potential as anti-melasma and anti-acne agents.
Keywords: Anti-acne, anti-melasma, acne, hyperpigmentation, molecular docking.
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