Ma Shuang, Zheng Xiuqing, Zhang Yuanyue, Zhao Shuai, Yi Junjie, Cai Shengbao
Faculty of Food Science and Engineering, Kunming University of Science and Technology, Kunming 650500, China.
Foods. 2022 Dec 12;11(24):4015. doi: 10.3390/foods11244015.
Royle () is commonly used as a food ingredient and herbal medicine according to folk records, yet little research has been done on the seed shell, a processing waste. The aim of this study was to investigate the distribution of polyphenolic components and the tyrosinase activation activity of different extracts from the seed shell by UHPLC-ESI-HRMS/MS, in vitro tyrosinase activity assay, molecular docking and molecular dynamics. A total of 16 phytochemicals were identified, of which (+)-catechin and (-)-epicatechin were the major polyphenolic compounds. Both the esterified and insoluble bound polyphenols exhibited tyrosinase activation activity, and the esterified polyphenols showed better tyrosinase activation activity. (+)-Catechin and (-)-epicatechin might be the main activators of tyrosinase, both of which may act as substrate to affect tyrosinase activity. By molecular docking and molecular dynamics simulation studies, (+)-catechin and (-)-epicatechin can be efficiently and stably bound to the tyrosinase active site through hydrogen bonds, van der Waals forces and π-bonds. The results of this study may not only provide a scientific basis for exploring seed shell as a potential activator of tyrosinase, but also contribute to the high value utilization of processing by-products.
根据民间记载，落葵薯（藤三七）通常用作食品原料和草药，然而对于其加工废弃物种子壳的研究却很少。本研究旨在通过超高效液相色谱-电喷雾电离-高分辨质谱联用（UHPLC-ESI-HRMS/MS）、体外酪氨酸酶活性测定、分子对接和分子动力学，研究种子壳不同提取物中多酚类成分的分布及其酪氨酸酶激活活性。共鉴定出16种植物化学物质，其中（+）-儿茶素和（-）-表儿茶素是主要的多酚类化合物。酯化多酚和不溶性结合多酚均表现出酪氨酸酶激活活性，且酯化多酚的酪氨酸酶激活活性更好。（+）-儿茶素和（-）-表儿茶素可能是酪氨酸酶的主要激活剂，二者均可作为底物影响酪氨酸酶活性。通过分子对接和分子动力学模拟研究，（+）-儿茶素和（-）-表儿茶素可通过氢键、范德华力和π键高效稳定地结合至酪氨酸酶活性位点。本研究结果不仅可为探索种子壳作为酪氨酸酶潜在激活剂提供科学依据，也有助于加工副产物的高值化利用。
