药学研究2026，Vol.45Issue(3)：257-264,274,9.DOI:10.13506/j.cnki.jpr.2026.03.003
基于UPLC-Q-TOF-MS技术结合网络药理学的东北红豆杉不同部位差异性物质及抗乳腺癌机制
Study on differential components in different parts of Taxus cuspidata and their antibreast cancer mechanism based on UPLC-Q-TOF-MS and network pharmacology
摘要
Abstract
Objective To explore the differences in chemical constituents among different parts of Taxus cuspidata and their potential anti-breast cancer mechanisms using UPLC-Q-TOF-MS combined with network pharmacology and molecular docking.Methods The chemical constituents in the leaves,bark,and seeds of Taxus cuspidata were identified and analyzed by UPLC-Q-TOF-MS,using reference standards,fragment ion analysis,and literature consultation.Principal component analysis(PCA)and orthogonal partial least squares-discriminant analysis(OPLS-DA)models were constructed using SIMCA software.Differential components were screened based on a variable importance in projection(VIP)value greater than 1.Network pharmacology and molecular docking were then performed on the 12 common components.Results A total of 70,38,and 56 components were identified in the leaves,bark,and seeds,respectively.The PCA and OPLS-DA models identified 34 main differential components.Network pharmacology analysis suggested that the 12 common components may exert anti-breast cancer effects by acting on 55 core targets(e.g.,TNF)and modulating 20 signaling pathways,including the pathways in cancer and the PI3K-Akt signaling pathway.Conclusion This study identified the differential chemical constituents in different parts of Taxus cuspidata and elucidates their potential anti-breast cancer mechanisms,providing a scientific basis for the resource development and clinical application of this plant.关键词
东北红豆杉/不同部位化学成分/超高效液相色谱-四极杆-飞行时间质谱/多元变量统计分析/网络药理学/分子对接Key words
Taxus cuspidata/Chemical components of different parts/UPLC-Q-TOF-MS/Multivariate statistics/Network pharmacology/Molecular docking分类
医药卫生引用本文复制引用
张雯淇,霍晋楠,包永睿,王帅,李天娇,孟宪生..基于UPLC-Q-TOF-MS技术结合网络药理学的东北红豆杉不同部位差异性物质及抗乳腺癌机制[J].药学研究,2026,45(3):257-264,274,9.基金项目
中国博士后科学基金面上资助"地区专项支持计划"项目(No.2025MD774099) （No.2025MD774099）
辽宁省自然科学基金项目(No.2024-BS-133) （No.2024-BS-133）
