硅胶中的皮肤荧光剂

N. K. M. Giantari, I. W. I. Prayoga, N. Laksmiani
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引用次数: 0

摘要

皮肤变黑是由于酪氨酸酶相关蛋白1酶活性的增加导致皮肤中黑色素的过量产生。儿茶素是类黄酮化合物,含有抗氧化剂。本研究旨在通过分子对接的方法,通过抑制硅中酪氨酸酶相关蛋白1靶蛋白,确定儿茶素作为皮肤美白剂的亲和力和作用机制。本研究从建立儿茶素与酪氨酸酶相关蛋白1三维结构数据库、优化儿茶素三维结构、蛋白制备、验证分子对接方法、儿茶素与酪氨酸酶相关蛋白1对接等几个阶段进行探索性研究。通过儿茶素与蛋白质之间形成的键能和氢键来评估对接结果。键能值越小,儿茶素与蛋白质之间的键能越强。结果表明,儿茶素能够抑制酪氨酸酶相关蛋白1,其键能值为-6,35 Kcal/mol,具有皮肤美白活性。儿茶素与酪氨酸酶相关蛋白1结合的能量值小于酪氨酸酶相关蛋白1与其天然配体结合的能量值。这说明儿茶素在抑制氨基酸残基上带有氢键的酪氨酸酶相关蛋白1酶(即ARG374)方面具有更大的潜力和亲和力。结果表明,儿茶素具有亮肤活性,其机制是抑制酪氨酸酶相关蛋白1酶,使真黑素的形成量减少,皮肤变得更亮。关键词:儿茶素,美白,酪氨酸酶相关蛋白1,硅,分子对接
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AKTIVITAS AGEN PENCERAH KULIT DARI KATEKIN SECARA IN SILICO
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
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