Cosmetics typically contain artificial substances that could be harmful to people's health. Extended usage and exposure to these harmful substances are frequently linked to a number of negative impacts and illnesses. This study processed a rind, rich in natural antityrosinase properties, with a chemometric-assisted green extraction system. The TPC value was obtained at the optimum conditions (34.4 MPa, 62°C, and 86 min). GC-MS and FTIR spectroscopy were performed to identify the phenolic compounds and their functional group, respectively. The optimized extract contains 77 % of the mushroom tyrosinase activity. PCA shows that aspidospermidin-17-ol,1-acetyl-19,21-apoxy-15,16-dimethoxy- (AP) resembles the similar cluster with hydroquinone. COSMO-RS was used to investigate the extraction mechanism of CO and AP during the SFE process. DFT and molecular docking were used to calculate the chemical reactivity and explain the tyrosinase inhibition mechanism, respectively. ADME-Tox and OSIRIS Property Explorer showed no violation of Lipinski’s rule, and toxicity with AP. In conclusion, a high-value, natural and safe cosmetic ingredient (AP) for cosmetopea was discovered using an innovative green extraction system.

中文翻译：

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化学计量学辅助从榴莲果皮中绿色提取酪氨酸酶抑制剂，用于化妆品中的皮肤美白剂


化妆品通常含有可能对人们健康有害的人造物质。长期使用和接触这些有害物质通常会导致许多负面影响和疾病。这项研究使用化学计量辅助绿色提取系统处理了富含天然抗酪氨酸酶特性的果皮。 TPC 值是在最佳条件（34.4 MPa、62°C、86 分钟）下获得的。 GC-MS 和 FTIR 光谱分别用于鉴定酚类化合物及其官能团。优化后的提取物含有 77% 的蘑菇酪氨酸酶活性。 PCA 显示 aspidospermidin-17-ol,1-乙酰基-19,21-apoxy-15,16-dimethoxy- (AP) 与氢醌类似。 COSMO-RS 用于研究 SFE 过程中 CO 和 AP 的萃取机理。分别使用DFT和分子对接计算化学反应性并解释酪氨酸酶抑制机制。 ADME-Tox 和 OSIRIS Property Explorer 没有显示出违反 Lipinski 规则的情况，也没有显示出 AP 的毒性。总之，利用创新的绿色提取系统发现了一种高价值、天然且安全的化妆品成分（AP）。