文献类型：期刊文献

中文题名：基于质谱及分子对接探究大黄褐变机理

英文题名：Investigation on browning mechanism of Rhei Radix et Rhizoma based on mass spectrometry and molecular docking

作者：李东辉[1,2];吴红伟[1,2];李国峰[1,2];杨新荣[1,2];司昕蕾[1,2];边甜甜[1,2];张育贵[1,2];李越峰[1,2]

第一作者：李东辉

机构：[1]甘肃中医药大学;[2]甘肃省中药制药工艺工程研究中心,兰州730000

第一机构：甘肃中医药大学

年份：2022

卷号：34

期号：10

起止页码：1666

中文期刊名：天然产物研究与开发

外文期刊名：Natural Product Research and Development

收录：CSTPCD;;CSCD:【CSCD2021_2022】；

基金：甘肃省中药制药工艺工程研究中心开放课题(ZYGY202003);国家药品监督管理局中药材及饮片质量控制重点实验室项目(2020GSMPA-KL15);国家自然科学基金(82160750);甘肃省教育厅产业支撑计划(2021CYZC-21)。

语种：中文

中文关键词：大黄;颜色;分子对接;褐变反应

外文关键词：rhubarb;color;molecular docking;browning reaction

摘要：探究大黄发生的褐变反应及对大黄化学成分进行定性分析。采用UPLC-MS/MS技术对大黄化学成分进行分析和鉴定,采用色差仪技术对大黄切面颜色进行测定,采用HPLC技术检测各样品成分及底物没食子酸及产物的消长情况,采用LC-MS技术检测褐变产物,利用分子对接技术预测酪氨酸酶与没食子酸、儿茶素、表儿茶素、大黄素等的结合能力。大黄在鲜切晾干过程中各样品色谱峰峰面积呈不同程度地减少。UPLC-MS/MS技术共鉴定出30种化合物,主要包括酚酸类、蒽醌类、黄烷醇类以及其他类。大黄切面颜色及反应体系颜色变化明显,底物没食子酸的峰面积减少明显,并有新物质生成,表明大黄发生了酶促褐变反应。分子对接结果表明酪氨酸酶与没食子酸、儿茶素、表儿茶素、大黄素等均具有较好的亲和力,这为后续从蒽醌类物质出发探究酶促褐变与蒽醌类成分的联系提供一定基础。
To explore the browning reaction of rhubarb and qualitatively analyze the chemical components of rhubarb.The chemical components of rhubarb were analyzed and identified by UPLC-MS/MS technology,the color of rhubarb cut surface was determined by colorimeter technology,and the ebb and flow of components,substrate gallic acid and products of each sample were detected by HPLC technology,and LC-MS technology was used.The browning products were detected,and the binding ability of tyrosinase to gallic acid,catechin,epicatechin,emodin,etc.was predicted by molecular docking technology.The chromatographic peak area of each sample of rhubarb decreased to varying degrees during the fresh-cut and air-drying process.A total of 30 compounds were identified by UPLC-MS/MS,mainly including phenolic acids,anthraquinones,flavanols and others.The color of the cut surface of rhubarb and the color of the reaction system changed obviously,the peak area of the substrate gallic acid decreased obviously,and new substances were formed,indicating that the rhubarb had an enzymatic browning reaction.The molecular docking results showed that the complex aminase had good affinity with gallic acid,catechin,epicatechin and rhodopsin,which provided some basis for further investigation of the relationship between enzymatic browning and anthraquinone components from anthraquinones subsequently.