基于味觉信息和化学成分的“谱味”关系挖掘白术苦味物质基础  

Exploration on Bitter Substance Basis of Atractylodes Macrocephala Rhizoma Based on the“Spectral Taste”Relationship between Taste Information and Chemical Components

作　　者：魏子路 阿丽娅·阿卜杜热依木 孙秀岩[1] 赵爽 解军波 赖长江生[2] 张彦青[3] WEI Zi-u;ARIYA Abdureyimu;SUN Xiu-yan;ZHAO Shuang;XIE Jun-bo;LAI Chang-jiang-sheng;ZHANG Yan-qing(School of Traditional Chinese Medicine,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;Cultivation Base of State Key Laboratory of Authentic Medicinal Materials,Resource Center of Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100700,China;School of Biotechnology and Food Science,Tianjin University of Commerce,Tianjin 300314,China)

机构地区：[1]天津中医药大学中药学院,天津301617 [2]中国中医科学院,道地药材品质保障与资源持续利用全国重点实验室,北京100700 [3]天津商业大学生物技术与食品科学学院,天津300134

出　　处：《分析测试学报》2023年第8期952-959,共8页Journal of Instrumental Analysis

基　　金：国家重点研发计划项目(2018YFC1706104);中央级公益性科研院所基本科研业务费专项资金资助(ZZ13-YQ-090-C1)。

摘　　要：基于味觉信息和化学成分的“谱味”相关性高效挖掘白术苦味的物质基础。采用电子舌技术测定34批次不同产地白术的苦味量化值,采用紫外-可见分光光度法测定白术的总黄酮、总聚炔、总内酯含量,采用高效液相色谱(HPLC)法测定白术中4种成分(白术内酯Ⅰ、白术内酯Ⅱ、白术内酯Ⅲ、苍术酮)含量,将白术的苦味值与其4种成分及总黄酮、总聚炔、总内酯含量进行双变量“谱味”相关性分析。根据相关性分析结果筛选出白术内酯Ⅰ、白术内酯Ⅱ、白术内酯Ⅲ3个化合物与苦味受体TAS2Rs进行分子对接验证。结果显示,白术中白术内酯Ⅰ、白术内酯Ⅱ、白术内酯Ⅲ的含量与苦味响应值存在显著正相关(p<0.01),白术的总内酯含量与苦味响应值呈正相关(p<0.05),白术的总聚炔含量与苦味响应值呈负相关(p<0.05),苍术酮和总黄酮的含量与苦味响应值无显著相关关系。经AutoDock Vina软件模拟分析验证,白术内酯Ⅰ、白术内酯Ⅱ、白术内酯Ⅲ与AlphaFold2软件构建的TAS2Rs苦味受体结合较好,以白术内酯Ⅰ、白术内酯Ⅱ和白术内酯Ⅲ为主的白术内酯类成分为白术“苦味”的物质基础。Based on the“spectral flavor”correlation between taste information and chemical com-ponents,the bitter substance basis of Atractylodes was efficiently explored in this paper.The bitter values of 34 batches of samples were determined by electronic tongue technique,the contents of total flavonoids,total polyalkynes and total lactones were determined by UV-Vis spectrophotometry,and the contents of four components,i.e.atractylenolideⅠ,atractylenolideⅡ,atractylenolideⅢand atractylon were detected by high performance liquid chromatography(HPLC).The bivariate“spec-tral taste”correlation analysis was conducted between the bitter values of Atractylodes and the con-tents of four components and total flavonoids,total polyalkyne and total lactone in Atractylodes mac-rocephala Rhizoma.According to the correlation analysis results,three compounds including atrac-tylenolideⅠ,atractylenolideⅡand atractylenolideⅢwere screened out for molecular docking veri-fication with bitter taste receptor TAS2Rs.The results showed that the contents of atractylenolideⅠ,atractylenolideⅡand atractylenolideⅢin Atractylodes macrocephala Rhizoma were positively corre-lated with bitterness response(p<0.01),total lactone of Atractylodes macrocephala Rhizoma was positively correlated with bitterness response(p<0.05),the total polyalkyne content was negatively correlated with the bitterness response(p<0.05),the atractylon content and total flavonoids content had no significant relationship with the bitterness response.The AutoDock Vina software simulation analysis showed that atractylenolideⅠ,atractylenolideⅡand atractylenolideⅢcombined well with the TAS2Rs bitterness receptor constructed by AlphaFold2 software.The constituents of total lac-tones,including atractylenolideⅠ,atractylenolideⅡand atractylenolideⅢ,are the main sub-stance basis for the bitter taste of Atractylodes macrocephala Rhizoma.

关 键 词：苦味 白术 “谱味”关系 白术内酯 电子舌 

分 类 号：O657.7[理学—分析化学] R284.1[理学—化学]