School of Mathematics and Big Data, Foshan University, Foshan, China.
School of Medicine, Guangdong Medical University, Zhanjiang, China.
J Food Biochem. 2022 Aug;46(8):e14204. doi: 10.1111/jfbc.14204. Epub 2022 Apr 28.
Osteoarthritis (OA) is a disabling disease and seriously affects the quality of life of patients. is A potential medicine for the treatment of OA is Eucommia ulmoides leaves (EULs). However, its active compounds and therapeutic mechanisms are unclear. Therefore, it is necessary to develop a method using LC-MS and network pharmacology for the detection and identification of compounds and the mechanisms of action of EULs. The compounds were detected and identified based on ultra-high-performance liquid chromatography coupled with Quadrupole Exactive-Orbitrap MS (UHPLC-Q Exactive-Orbitrap MS) and followed by the network pharmacology analysis. Seventy-three compounds, including 15 flavonoids, 8 iridoids, 10 lignans, 24 phenolic acids, and 16 additional compounds, were identified by UHPLC-Q Exactive-Orbitrap MS. The network of the pharmacological analysis revealed that 29 active compounds regulated 17 main pathways through 38 target genes, including NF-kappa B signaling pathway, PI3K-Akt signaling pathway, AMPK signaling pathway, etc. In conclusion, EULs were effective in the treatment of OA by regulating the abovementioned key pathways. This study showed that LC-MS/MS followed by network pharmacology analysis is useful to elucidate the complex mechanisms of action of Chinese herb. PRACTICAL APPLICATIONS: This study describes a rapid method of detecting and identifying the constituents and systematic mechanism of Eucommia ulmoides based on LC-MS and network pharmacology. Our results show that 73 compounds of E. ulmoides leaves were identified and predicted that E. ulmoides leaves were effective in the treatment of OA by regulating key pathways, including NF-kappa B signaling pathway, PI3K-Akt signaling pathway, and AMPK signaling pathway by network pharmacology, which lays the foundation for subsequent research.
骨关节炎（OA）是一种致残性疾病，严重影响患者的生活质量。杜仲叶（EULs）是一种有治疗 OA 潜力的药物。然而，其活性化合物和治疗机制尚不清楚。因此，有必要开发一种使用 LC-MS 和网络药理学来检测和鉴定化合物以及 EULs 作用机制的方法。该方法基于超高效液相色谱与四极杆 Exactive-Orbitrap MS（UHPLC-Q Exactive-Orbitrap MS）联用，对化合物进行检测和鉴定，并进行网络药理学分析。通过 UHPLC-Q Exactive-Orbitrap MS 鉴定出 73 种化合物，包括 15 种黄酮类化合物、8 种环烯醚萜类化合物、10 种木脂素类化合物、24 种酚酸类化合物和 16 种其他化合物。药理分析网络揭示，通过 38 个靶基因，29 种活性化合物调节 17 条主要通路，包括 NF-κB 信号通路、PI3K-Akt 信号通路、AMPK 信号通路等。总之，杜仲叶通过调节上述关键通路对 OA 有治疗作用。本研究表明，LC-MS/MS 联合网络药理学分析有助于阐明中药的复杂作用机制。实际应用：本研究描述了一种基于 LC-MS 和网络药理学快速检测和鉴定杜仲叶成分及系统作用机制的方法。结果表明，鉴定出杜仲叶 73 种化合物，通过网络药理学预测杜仲叶通过调节 NF-κB 信号通路、PI3K-Akt 信号通路和 AMPK 信号通路等关键通路对 OA 有治疗作用，为后续研究奠定了基础。
