Javed Ahsan, Alam Md Badrul, Naznin Marufa, Shafique Imran, Kim Sunghwan, Lee Sang-Han
Department of Food Science and Biotechnology, Graduate School, Kyungpook National University, Daegu, Korea.
Food and Bio-Industry Research Institute, Inner Beauty/Antiaging Centre, Kyungpook National University, Daegu, Korea.
Phytochem Anal. 2025 Mar;36(2):343-357. doi: 10.1002/pca.3233. Epub 2023 May 14.
Sargassum fusiforme (Harvey) Setchell, also known as Tot (in Korean) and Hijiki (in Japanese), is widely consumed in Korea, Japan, and China due to its health promoting properties. However, the bioactive component behind the biological activity is still unknown.
We aimed to optimise the extraction conditions for achieving maximum tyrosinase inhibition activity by using two sophisticated statistical tools, that is, response surface methodology (RSM) and artificial neural network (ANN). Moreover, high-resolution mass spectrometry (HRMS) was used to tentatively identify the components, which are then further studied for molecular docking study using 2Y9X protein.
RSM central composite design was used to conduct extraction using microwave equipment, which was then compared to ANN. Electrospray ionisation tandem mass spectrometry (ESI-MS/MS) was used to tentatively identify bioactive components, which were then docked to the 2Y9X protein using AutoDock Vina and MolDock software.
Maximum tyrosinase inhibition activity of 79.530% was achieved under optimised conditions of time: 3.27 min, temperature: 128.885°C, ethanol concentration: 42.13%, and microwave intensity: 577.84 W. Furthermore, 48 bioactive compounds were tentatively identified in optimised Sargassum fusiforme (OSF) extract, and among them, seven phenolics, five flavonoids, five lignans, six terpenes, and five sulfolipids and phospholipids were putatively reported for the first time in Sargassum fusiforme. Among 48 bioactive components, trifuhalol-A, diphlorethohydroxycarmalol, glycyrrhizin, and arctigenin exhibited higher binding energies for 2Y9X.
Taken together, these findings suggest that OSF extract can be used as an effective skin-whitening source on a commercial level and could be used in topical formulations by replacing conventional drugs.
羊栖菜，在韩语中也称为“Tot”，在日语中称为“Hijiki”，因其具有促进健康的特性而在韩国、日本和中国被广泛食用。然而，其生物活性背后的生物活性成分仍然未知。
我们旨在通过使用两种先进的统计工具，即响应面法（RSM）和人工神经网络（ANN），优化提取条件以实现最大的酪氨酸酶抑制活性。此外，使用高分辨率质谱（HRMS）初步鉴定成分，然后使用2Y9X蛋白对其进行进一步的分子对接研究。
采用RSM中心复合设计，使用微波设备进行提取，然后与ANN进行比较。采用电喷雾电离串联质谱（ESI-MS/MS）初步鉴定生物活性成分，然后使用AutoDock Vina和MolDock软件将其与2Y9X蛋白对接。
在时间3.27分钟、温度128.885°C、乙醇浓度42.13%、微波强度577.84瓦的优化条件下，酪氨酸酶抑制活性达到最大值79.530%。此外，在优化的羊栖菜提取物（OSF）中初步鉴定出48种生物活性化合物，其中7种酚类、5种黄酮类、5种木脂素、6种萜类以及5种硫脂和磷脂在羊栖菜中首次被推定报道。在48种生物活性成分中，三氟哈洛醇-A、二氢愈创木脂酰羟基卡马醇、甘草酸和牛蒡子苷元对2Y9X表现出更高的结合能。
综上所述，这些发现表明OSF提取物可在商业层面用作有效的皮肤美白来源，并可通过替代传统药物用于局部制剂。
