基于谱效关系的火棘果酚类化合物抗氧化活性分析  

Correlation Analysis of Antioxidant Phenolic Components of Pyracantha Fortuneana Based on Spectrum-Effect Relationship

作　　者：王艳 杨锡金 何婷 杨煜垚 肖欣 钱声艳 陈荣祥 袁晓艳 WANG Yan;YANG Xijin;HE Ting;YANG Yuyao;XIAO Xin;QIAN Shengyan;CHEN Rongxiang;YUAN Xiaoyan(School of Pharmacy,Zunyi Medical University,Zunyi 563000,China;School of Basic Medicine,Zunyi Medical University,Zunyi 563000,China)

机构地区：[1]遵义医科大学药学院,贵州遵义563000 [2]遵义医科大学基础医学院,贵州遵义563000

出　　处：《食品科技》2023年第7期176-184,共9页Food Science and Technology

基　　金：国家自然科学基金项目(81960707,81760652);遵义市科技支撑项目(遵市科合HZ(2020)67号);遵义医科大学2019年度学术新苗培养及创新探索专项项目(黔科平台人才[2019]-006);遵义医科大学大学生创新创业项目(ZYDC2022)。

摘　　要：建立23个不同产地火棘果HPLC-ECD指纹图谱,以DPPH、ABTS+自由基清除能力和铁离子还原能力评价火棘果的抗氧化活性,通过灰色关联分析和偏最小二乘回归分析火棘果特征峰与抗氧化作用谱效关系;并结合分子对接预测其作用靶点,初步研究其抗氧化作用机制。23批火棘果均具有不同程度抗氧化能力,其中1、3、4、6、10~20,22、25号特征峰具有较好的抗氧化活性;抗氧化活性主要有效成分为表儿茶素、原花青素B2、绿原酸、芦丁、金丝桃苷和槲皮素-7-O-葡萄糖苷,可以与超氧化物歧化酶(SOD)、细胞色素氧化酶(CYP2C9)和血红素氧合酶-2(HO-2)等多个抗氧化蛋白靶点存在结合机制,表明其主要活性成分除清除自由基外还可能通过多靶点发挥抗氧化活性。综上所述,HPLC-ECD指纹图谱结合体外抗氧化可用于火棘果质量评价和抗氧化物质基础研究,分子对接有助于火棘果活性成分的初步作用机制研究,为火棘果进一步开发利用提供科学依据。HPLC-ECD fingerprints of Pyracantha fortuneana from 23 different habitats were established,and the in vitro antioxidant activities of Pyracantha fortuneana extracts were evaluated by DPPH,ABTS+radical scavenging ability and ferric ion reducing antioxidant power(FRAP).Furthermore,the spectrumeffect relationship of antioxidation was studied by gray relational analysis(GRA)and partial least square regression(PLSR)analysis,and the molecular docking was used to predict the target of action and preliminarily study the mechanism of antioxidant activity.Twenty-three batches of Pyracantha fortuneana from different habitats showed different degrees of antioxidant capacities.The characteristic peaks of No.1,3,4,6,10~20,22 and 25 were significantly affected in PLSR and GRA.The main antioxidant components are epicatechin,proanthocyanidin B2,chlorogenic acid,rutin,hyperoside and quercetin-7-Oglucoside.The antioxidant protein targets have good binding energy with active components were SOD,CYP2C9,and HO-2.The results showed that the main active compounds of antioxidant capacity can scavenge free radicals and may act on multiple targets.In summary,the HPLC-ECD fingerprint combined with antioxidant method can be used to evaluate the quality of Pyracantha fortuneana and investigate the material base of antioxidant activity.The molecular docking can be used to explore the mechanism of active components,thus providing a scientific basis for further development and utilization of Pyracantha fortuneana.

关 键 词：火棘果 抗氧化活性 谱效关系 分子对接 

分 类 号：TS201.2[轻工技术与工程—食品科学]