基于非靶向组学结合化学计量学方法分析新疆紫草差异成分  

Analysis of Differential Metabolites of Arnebia euchroma Based on Non-targeted Metabolomics Combined with Chemometrics

作　　者：叶雨 康传志 张际昭 邱远金 赵亚琴 王升[2] 李晓瑾 王果平 樊丛照 YE Yu;KANG Chuanzhi;ZHANG Jizhao;QIU Yuanjin;ZHAO Yaqin;WANG Sheng;LI Xiaojin;WANG Guoping;FAN Congzhao(Guizhou Biotechnology Research and Development Base Co.,Ltd.,Guiyang 550002,China;State Key Laboratory Breeding Base of Dao-di Herbs,National Resource Center for Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100700,China;Xinjiang Institute of Chinese Materia Medica and Ethnical Materia,Urumqi 830002,China)

机构地区：[1]贵州省生物技术研究开发基地有限公司,贵州贵阳550002 [2]中国中医科学院中药资源中心,道地药材国家重点实验室培育基地,北京100700 [3]新疆维吾尔自治区中药民族药研究所,新疆乌鲁木齐830002

出　　处：《中国现代中药》2025年第2期248-257,I0001-I0006,共16页Modern Chinese Medicine

基　　金：新疆维吾尔自治区重大科技专项(2023A03005-1);中央本级重大增减支项目(2060302);“天山英才”医药卫生高层次人才培养计划(TSYC202301B054);贵州省科技计划项目(黔科合服企[2023] 012)。

摘　　要：目的:基于非靶向代谢组学技术研究不同产地新疆紫草代谢产物差异性,为新疆紫草资源开发利用提供参考。方法:应用超高效液相色谱-质谱法对不同产地新疆紫草药材进行代谢组学分析并根据特征峰和数据库匹配鉴定化学成分;采用多元统计分析方法对不同产地新疆紫草药材化学成分进行综合分析。结果:从不同产地新疆紫草中共鉴定出840个化合物,通过多元统计分析筛选出262个显著差异代谢物,包括黄酮类53个、生物碱52个、萜类47个、酚及酚酸类24个、脂肪酰类7个、香豆素类6个等;不同产地的新疆紫草检测出相同化合物703个,其中醌类物质、酰胺类和氨基酸衍生物等化合物在2种不同测定模式下均有检出且相对含量较高,酰胺类化合物芥酸酰胺相对含量最高,氨基酸衍生物L-脯氨酸次之。通路富集分析表明,差异代谢物主要分布在12条代谢途径中,包括黄酮和黄酮醇生物合成、嘌呤代谢途径、泛酸和辅酶A(CoA)生物合成、氨酰tRNA生物合成、嘧啶生物合成、氨基酸生物合成通路等。结论:不同产地新疆紫草代谢产物存在明显差异,左旋紫草素、绿原酸、山柰酚等12个化合物可作为不同产地新疆紫草代谢差异标记物,可为新疆紫草品质评价、资源利用提供参考。Objective:To investigate the differential metabolites of Arnebia euchroma from different producing areas by non-targeted metabolomics and provide reference for the development and utilization of A.euchroma resources.Methods:Ultra performance liquid chromatography-tandem mass spectrometry(UPLC-MS/MS)was employed to analyze the metabolomes of A.euchroma samples from different producing areas and identify the chemical components based on the characteristic peaks and the database matching.Multivariate statistical analysis was performed to comprehensively analyze the chemical components of A.euchroma samples from different producing areas.Results:A total of 840 compounds were identified in A.euchroma samples from different producing areas,and 262 differential metabolites were screened out by multivariate statistical analysis,including 53 flavonoids,52 alkaloids,47 terpenoids,24 phenols and phenolic acids,7 fatty acyls,and 6 coumarins.A total of 703 common compounds were detected in A.euchroma samples from different producing areas,among which quinones,amides,and amino acid derivatives were detected in two different modes,with high relative content.Erucic amide had the highest relative content,followed by the amino acid derivative L-proline.Pathway enrichment analysis showed that the differential metabolites mainly involved 12 metabolic pathways,including flavonoid and flavonol biosynthesis,purine metabolic pathway,pantothenic acid and coenzyme A(CoA)biosynthesis,aminoacyl-tRNA biosynthesis,pyrimidine biosynthesis,and amino acid biosynthesis pathway.Conclusion:There are obvious differences in the metabolites of A.euchroma from different producing areas,and 12 compounds including alkannin,chlorogenic acid,and kaempferol can be used as metabolic markers of A.euchroma from different producing areas,which can provide reference for the quality evaluation and resource utilization of A.euchroma.

关 键 词：新疆紫草 液相色谱-质谱法 差异代谢物 非靶向组学 化学计量学方法 

分 类 号：R284.1[医药卫生—中药学]