山西医科大学学报2024，Vol.55Issue(10)：1324-1334,11.DOI:10.13753/j.issn.1007-6611.2024.10.009
基于UPLC-Q-TOF/MS和网络药理学研究养阴生血合剂防治化疗并发症的作用机制
Mechanism of Yangyin Shengxue mixture preventing and treating chemotherapy toxicity based on UPLC-Q-TOF/MS and network pharmacology
摘要
Abstract
Objective To study the potential mechanism of Yangyin Shengxue mixture in the prevention and treatment of chemo-therapy complications based on the chemical component analysis in vitro and in vivo and network pharmacology.Methods The ultra performance liquid chromatography-quadrupole-time of flight mass spectrometry(UPLC-Q-TOF/MS)was used to qualitatively analyze the chemical components of Yangyin Shengxue mixture and the components absorbed in the blood.The targets related with Yangyin Shengxue mixture components absorbed in the blood were obtained from SwissTargetPrediction database,and the chemotherapy com-plications-related targets were obtained from DrugBank,GeneCards and OMIM databases.The intersection targets of Yangyin Shengxue mixture and chemotherapy complications were screened.The STRING database was used to construct PPI network,and DAVID database was employed for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.Cyto-scape software was used to construct the chemical component-target-pathway network.The affinity of the key components and targets was predicted by Auto Dock software.Results After oral treatment with Yangyin Shengxue mixture,a total of 9 components from rats serum were identified,including harpagide,astragaloside Ⅳ,astragaloside Ⅱ,calycosin,ferulic acid,calycosin-7-O-β-D-glucopyranoside,rehmannioside D,acteoside and 8-epiloganic acid.Moreover,a total of 48 intersection targets and 15 core targets including EGFR,TNF,STAT3,IL-2 and others were screened,mainly involving nuclear factor-κB(NF-κB)and interleukin-17(IL-17)signaling pathway and others.The molecular docking results exhibited that the binding energies of calycosin and astragaloside Ⅳwith the core targets of EGFR and TNF were all<-5 kJ/mol.Conclusion Yangyin Shengxue mixture and its active components,caly-cosin and astragaloside Ⅳ,may play a role in the prevention and treatment of chemotherapy complications through regulating the targets of EGFR and TNF in the immune and inflammatory signaling pathways of NF-κB and IL-17.关键词
养阴生血合剂/化疗并发症/UPLC-Q-TOF/MS/网络药理学/免疫炎症通路Key words
Yangyin Shengxue mixture/chemotherapy complications/UPLC-Q-TOF/MS/network pharmacology/immune inflammatory signaling pathway分类
医药卫生引用本文复制引用
张萌萌,刘典焱,郭容利,李海洋,李瑶,宋建芳,丁茹,卫培峰..基于UPLC-Q-TOF/MS和网络药理学研究养阴生血合剂防治化疗并发症的作用机制[J].山西医科大学学报,2024,55(10):1324-1334,11.基金项目
秦创原引用高层次创新创业人才项目(QCYRCXM-2023-109) （QCYRCXM-2023-109）
