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OA

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.