基于抗氧化作用预测桑椹质量标志物  

Predicting Quality Markers of Mulberry Fruit Based on Antioxida-nt Activity Zhang

作　　者：张秀丽 孙莉莉 马雯芳 吴剑丽 覃慧玲 蓝昌斌 甘洁雪 Xiuli;Sun Lili;Ma Wenfang;Wu Jianli;Qin Huiling;Lan Changbin;Gan Jiexue(Faculty of Pharmacy,Guangxi University of Chinese Medicine,Nanning 530000,China;Guangxi Hospital Division of The First Affiliated,Sun Yat-Sen University,Nanning 530000,China)

机构地区：[1]广西中医药大学药学院,南宁530000 [2]中山大学附属第一医院广西医院,南宁530000

出　　处：《蚕业科学》2024年第3期193-206,共14页ACTA SERICOLOGICA SINICA

基　　金：广西重点研发计划项目(桂科AB23026066);广西自然科学基金项目(2020GXNSFAA159145);广西一流学科建设开放课题(2019XK098);广西一流学科建设项目重点课题(2018XK032);广西壮瑶药重点实验室子课题(GXZY-YDC-20);广西中医药大学研究生教育创新计划项目(YCXJ2021016);广西中医药大学大学生创新创业训练计划项目(S202210600061)。

摘　　要：通过UPLC-Q-Exactive Orbitrap MS技术对桑椹化学成分及血清药物化学成分进行研究,探讨桑椹的药效物质基础,结合网络药理学及分子对接方法,确定桑椹抗氧化作用的质量标志物(Q-Marker),并建立其含量的HPLC测定方法。利用UPLC-Q-Exactive Orbitrap MS从桑椹的乙醇提取物和灌胃小鼠血清中分别鉴定到74种和43种化合物,以共有成分作为Q-Marker候选成分,经与网络药理学相关联后分别获得桑椹发挥抗氧化作用的14个关键靶点和11种关键化合物。基于分子对接对关键靶点和化合物进行验证,结果显示新绿原酸、绿原酸、隐绿原酸和芦丁具有较好的抗氧化活性,是桑椹发挥抗氧化作用的关键化合物,SRC、AKT1、CASP3、EGFR是桑椹发挥抗氧化作用的关键靶点。利用HPLC法在不同产地批次桑椹中均检出新绿原酸、绿原酸、隐绿原酸和芦丁,但各成分含量差异较大,总质量比在0.4846~2.5578 mg/g之间。结果表明,新绿原酸、绿原酸、隐绿原酸和芦丁可作为桑椹抗氧化作用的潜在Q-Marker,为评价不同来源桑椹的质量提供参考。The chemical and serum pharmacochemistry component of mulberry fruit were studied by UPLC-Q-Exactive Orbitrap MS technique,and the pharmacodynamic material basis of mulberry fruit was discussed.The antioxidant quality marker(Q-Marker)of mulberry fruit was identified by network pharmacology and molecular docking method,and the HPLC method was established for its content determination.Totally 74 and 43 compounds were obtained from the ethanol extract of mulberry fruit and serum,respectively,by UPLC-Q-Exactive Orbitrap MS.The common components were used as Q-Marker candidate components.After being related to network pharmacology,14 key targets and 11 key compounds for antioxidant effects of mulberry fruit were obtained.Validation results of key targets and compounds based on molecular docking showed that neochlorogenic acid,chlorogenic acid,cryptochlorogenic acid and rutin have good antioxidant activity,which are the key compounds of mulberry fruit to exert antioxidant effect,and SRC,AKT1,CASP3 and EGFR are the key targets of mulberry fruit to exert antioxidant effect.New chlorogenic acid,chlorogenic acid,cryptochlorogenic acid and rutin were detected in different batches of mulberry fruit by HPLC,but the contents of each component varied greatly,and the total contents ranged from 0.4846 to 2.5578 mg/g.The results indicate that neochlorogenic acid,chlorogenic acid,cryptochlorogenic acid and rutin can be used as potential Q-markers of antioxidant activity of mulberry fruit,which can provide reference for evaluating antioxidant capacity of mulberry fruit from different sources.

关 键 词：桑椹 抗氧化 质量标志物 网络药理学 中药血清药物化学 分子对接 

分 类 号：R285[医药卫生—中药学] S886.9[医药卫生—中医学]