Qualitative Analysis Using UPLC-Q-TOF/MS and a Systematic Network Pharmacology-Based Strategy to Investigate the Active Constituents and Potential Mechanisms Against Breast Cancer in the Fruit Body of Sanghuangporus vaninii

Abstract

Objective: To predict the pharmacodynamic material basis and mechanism of Chinese medicinal mushroom Sanghuangporus vaninii (Ljub.) L.W. Zhou & Y.C. Dai ( SV) against breast cancer based on ultraperformance liquid chromatography tandem quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) and network pharmacology. Methods: We explored the compositional basis of SV using UPLC-Q-TOF/MS, then the potential targets and key pathways involved in the anti-breast cancer effect were predicted using a network pharmacology approach. Molecular docking was performed with the key compounds and the hub targets to confirm the results of the network pharmacology screening. Results: A total of 53 chemical components were identified, including 4 organic acids, 6 catechins, 13 pyranones, 13 flavonoids, and 17 fatty acids. 33 polyphenols and 144 corresponding targets were found to be significantly associated with its anti-breast cancer activity. Molecular docking results showed that the core compound could significantly bind to the core target. Conclusion: The anti-proliferative effect of SV against breast cancer could be attributed to a combination of multi-component, multi-target, and multi-channel mechanisms. The key active compound of SV in the treatment of breast cancer may be phellibaumin B, naringenin, hesperetin, sterubin, phelligrin A and phelligrin C, and the molecular mechanism may be related to the key targets MMP9, EGF, and EGFR, and that signaling pathways such as MAPK and PI3K-Akt may be responsible for SV-induced growth inhibition in breast cancer cells.