Cai Wei, Li Kailin, Qin Shihan, Xiong Pei, Peng Jie, Shi Silin, Zhang Zaiqi
Hunan Provincial Key Laboratory of Dong Medicine, Hunan University of Medicine, Huaihua 41800, China.
School of Pharmaceutical Sciences, Hunan University of Medicine, Huaihua 41800, China.
Int J Anal Chem. 2021 Jan 27;2021:6619959. doi: 10.1155/2021/6619959. eCollection 2021.
Bornm. (P. freyniana), belonging to the family Rosaceae, has been used as a folk medicine in China. However, as we know, the constituents and the systematic elucidation of the mechanism were not fully investigated. Therefore, it is necessary to develop a rapid method using LC-MS and network pharmacology for the detection and identification of constituents and the systematic mechanism of . Firstly, the flavonoids were detected and identified based on ultra-high-performance liquid chromatography coupled with Quadrupole-Exactive Focus Orbitrap MS (UHPLC-Q-Exactive Orbitrap MS). After that, the potential targets of those constituents were obtained by database mining. Then, the core targets were predicted by protein-protein interaction network and network analysis. Finally, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were carried out via DAVID. This finding revealed that possessed 43 flavonoids (40 of them were first reported) with 23 core target genes, which are associated with PI3K-Akt, MAPK, TNF signaling pathway, and pathway in cancer. This study demonstrated the multicompound, multitarget, and multimechanism of , which are very beneficial to develop the further study and utilization of this plant including the material basis and quality control research.
委陵菜(Potentilla freyniana)属于蔷薇科,在中国一直被用作民间药物。然而,据我们所知,其成分及作用机制尚未得到充分研究。因此,有必要开发一种利用液相色谱 - 质谱联用技术和网络药理学的快速方法,用于检测和鉴定其成分及作用机制。首先,基于超高效液相色谱与四极杆 - 静电场轨道阱质谱联用仪(UHPLC - Q - Exactive Orbitrap MS)对黄酮类化合物进行检测和鉴定。之后,通过数据库挖掘获得这些成分的潜在靶点。然后,通过蛋白质 - 蛋白质相互作用网络和网络分析预测核心靶点。最后,通过DAVID进行基因本体论(GO)和京都基因与基因组百科全书(KEGG)通路富集分析。该研究发现委陵菜含有43种黄酮类化合物(其中40种为首次报道),具有23个核心靶基因,这些基因与PI3K - Akt、MAPK、TNF信号通路以及癌症通路相关。本研究证明了委陵菜的多成分、多靶点和多机制特性,这对于进一步开展该植物的研究和利用,包括物质基础和质量控制研究非常有益。