AKTIVITAS DARI KUERSETIN SEBAGAI AGEN PENCERAH KULIT SECARA IN SILICO

K. D. Adnyani, L. E. Lestari, H. Prabowo, P. A. I. A. Siaka, N. Laksmiani
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引用次数: 5

Abstract

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
KUERSETIN的活动是硅co的去角质剂
黑色素生成过程的增加会导致黑色素合成过多,从而导致肤色变暗。黑素生成过程需要黑素生成酶,其中一种是酪氨酸酶相关蛋白1。槲皮素是一种类黄酮化合物,有可能成为皮肤美白剂。槲皮素的抗氧化活性在抗黑色素生成中起着非常重要的作用。本研究旨在利用硅分子对接方法确定槲皮素对靶蛋白酪氨酸酶相关蛋白1的亲和力及其分子机制。通过对槲皮素化合物结构的优化、目标蛋白酪氨酸酶相关蛋白1的制备、分子对接方法的验证、槲皮素与酪氨酸酶相关蛋白1的对接等阶段进行分子对接。槲皮素与酪氨酸酶相关蛋白1对接产生的结合能为-7.81 kcal/mol,而天然配体与酪氨酸酶相关蛋白1对接产生的结合能为-5.39 kcal/mol。槲皮素对酪氨酸酶相关蛋白1具有很强的亲和力,这可以从对接结果的结合能看出。槲皮素通过抑制酪氨酸酶相关蛋白1酶的活性而具有皮肤增白剂的活性。关键词:皮肤增白剂,硅,槲皮素,酪氨酸酶相关蛋白
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