液质联用和网络药理学预测月季花抗氧化的质量标志物
打开文本图片集
中图分类号：R284.1 文献标识码：A DOI： 10.7535/hbgykj.2025yx06007
Prediction of quality markers （Q-Markers） for antioxidant activity in Rosa chinensis Jacq. using UPLC-Q-TOF-MS/MS and network pharmacology
Chinese Medicine Formula Granule Technology Innovate Center，Shijiazhuang，Hebei O5o091，China；3.Hebei Enginering ResearchCenterfor QualityEvaluationand StandardizationofTraditional Chinese Medicine，Shijiazhuang，Hebei O591，China）
Abstract：Toidentifythekeycompounds responsibleforthecore antioxidant activityin Rosa chinensis Jacq.，andto provide precise argetsfortheir medicinaldevelopmentandqualitycontrol，thechemicalconstituentsofRosachinensis Jacq.werefirst analyzedand identifiedusing ultraperformance liquidchromatography-quadrupole-time-of-flighttandem massspectrometry （UPLC-Q-TOF-MS/MS）．Next，protein-protein interaction（PPI） analysis was performed on the intersection targets of componentsandantioxidant-related targets.Subsequently，comprehensiveandin-depth GeneOntology（GO）functional enrichmentanalysis and Kyoto Encyclopediaof Genes and Genomes（KEGG）pathway enrichment analysis were conducted to predict potential targets.Finall，moleculardocking technology wasused to visualizethe combinations with lowerbinding energy，so as to sreen outthe quality markers forantioxidant activity.Theresults show that atotalof7O compounds were identifiedfromRosa chinensis Jacq.，with119 intersectiontargets betweenthecompoundsandantioxidant-relatedtargetsAn "activecmponent-target-pathway"network ofRosachinensisJacq.isconstructed，and10corecompoundsas wellas5orekey targetsarescrenedout.Betulinicacid，oleanolicacid，stigmasterol，kaempferol，hyperoside，andquercetinarepreliminarily speculatedtobethe keyqualitymarkersresponsiblefor the antioxidanteffectsof Rosachinensis Jacq..The predictedtargets， pathways，andquality markers can provide experimentalideas and theoretical basis forclarifying theresearchon the material basis of the antioxidant activity of Rosa chinensis Jacq..
KeyWords：chemistryof Chinese materia medica;Rosa chinensis Jacq.; UPLC-Q-TOF-MS/MS；antioxidant; network pharmacology；molecular docking；quality marker
月季花，亦称作四季花、月月红，系蔷薇科植物月季（RosachinensisJacq.）的干燥花，含有丰富的生物活性成分，包括黄酮类、黄酮苷类、有机酸类及酚酸类等物质[]，其药理活性呈现出多样性特征，在抗氧化、抗肿瘤、抗菌及抗病毒等多个领域均展现出显著功效[2]
对月季花抗氧化活性的研究已具有一定基础，从采收时期[3]、药用部位[4-5]、色素提取[6]、萃取方式[7-9]等角度验证了月季花对DPPH（1，1-二苯基-2-三硝基苯肼）、超氧阴离子及羟基自由基的清除能力[10-11]。（剩余19461字）
