南京中医药大学学报2025，Vol.41Issue(5)：622-636,15.DOI:10.14148/j.issn.1672-0482.2025.0622
基于UPLC-Q-TOF-MS技术结合网络药理学探讨安肠方治疗溃疡性结肠炎的药效物质基础及潜在机制
Exploration of the Pharmacological Substances Basis and Potential Mechanism of Anchang Formulation in the Treatment of Ulcerative Colitis Based on UPLC-Q-TOF-MS Technology and Network Pharmacology
摘要
Abstract
OBJECTIVE To identify and characterize the chemical ingredients of Anchang formulation,further screen the active ingredients of this formulation treating ulcerative colitis by network pharmacology,and explore the potential targets and pathways,provi-ding scientific basis for its mechanism research and clinical application.METHODS Chemical ingredients in Anchang formulation were acquired by Ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry(UPLC-Q-TOF-MS)technology and literature retrieval.The potential active ingredients and key targets for the treatment were obtained from Swiss Target Prediction,GeneCards,STRING,and then Gene Ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment were analyzed in the DAVID database.The interactions between the active ingredients and the core targets were verified by using the AutoDock software.The RAW 264.7 murine-derived macrophage inflammation model was also established to val-idate the anti-inflammatory activity of the pre-screened chemical ingredients and further explore the related mechanisms.RESULTS In this study,108 chemical ingredients of Anchang formulation were characterized by UPLC-Q-TOF-MS technology,and expanded to 134 through literature search.The component-target network where 39 core active components were screened was further constructed,and 15 key therapeutic targets were screened by the protein-protein interaction network constructed.The enrichment analysis of KEGG pathway indicated that Anchang formulation can regulate TNF,PI3K-Akt,MAPK,cancer and other related signaling pathways and ex-ert a therapeutic effect.The results of cell experiments showed that Anchang formulation and its active ingredients could inhibit the re-lease of NO,TNF-α and IL-6 in the LPS-induced RAW 264.7 cell inflammation model.CONCLUSION Based on the concept of"ingredient-target-pathway",this study evaluates the anti-inflammatory effect of Anchang formulation and its active ingredients,pre-dicts the potential mechanism of treatment for UC,and provides a theoretical basis and research ideas for the quality control of the for-mulation and its treatment for UC.关键词
安肠方/溃疡性结肠炎/活性成分/LC-MS/网络药理学Key words
Anchang formulation/ulcerative colitis/active ingredient/LC-MS/network pharmacology分类
医药卫生引用本文复制引用
吴明霞,王楠,丁晔林,李萌思彤,崔运启,王振中,杨颖博,肖伟..基于UPLC-Q-TOF-MS技术结合网络药理学探讨安肠方治疗溃疡性结肠炎的药效物质基础及潜在机制[J].南京中医药大学学报,2025,41(5):622-636,15.基金项目
江苏省基础研究计划自然科学基金-前沿引领技术基础研究专项(BK20232014) （BK20232014）
