Li Pengjuan, Xu Hongbo, Li Shuming, Weng Jingyu, Yang Yuangui
Shaanxi Collaborative Innovation Center of Chinese Medicine Resources Industrialization, State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources (Cultivation), Shaanxi Innovative Drug Research Center and College of Pharmacy, Shaanxi University of Chinese Medicine, Xianyang 712046, China.
Shaanxi Collaborative Innovation Center of Chinese Medicine Resources Industrialization, State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources (Cultivation), Shaanxi Innovative Drug Research Center and College of Pharmacy, Shaanxi University of Chinese Medicine, Xianyang 712046, China.
J Pharm Biomed Anal. 2025 Sep 1;268:117140. doi: 10.1016/j.jpba.2025.117140.
This study aims to comprehensively screen quality markers using an integrated multi-strategy approach combining plant metabolomics, spectrum-effect relationship analysis, network pharmacology, and quantitative analysis, thereby providing a basis for quality control of Paris polyphylla var. yunnanensis and its closely related species. Firstly, 14 differential metabolites were screened from the roots, stems, and leaves of Paris polyphylla var. yunnanensis using UHPLC-Q/TOF-HRMS combined with principal component analysis and partial least squares-discriminant analysis. Secondly, fingerprint profiles of the roots, stems, and leaves of Paris polyphylla var. yunnanensis were established by UHPLC-Q/TOF-HRMS, identifying 22, 26, and 15 common peaks, respectively. By integrating grey relational analysis, bivariate correlation analysis, and partial least squares regression, five potential quality markers (β-Ecdysone, polyphyllin VII, II, I, and V) were preliminarily screened from Paris polyphylla var. yunnanensis. Subsequently, through network pharmacology and molecular docking, four quality markers (polyphyllin VII, II, I, and V) were ultimately identified. Finally, HPLC-DAD quantitative analysis revealed differential capabilities in accumulating and storing these quality markers among Paris polyphylla var. yunnanensis and its closely related species. In summary, this study holds significant implications for elucidating the pharmacodynamic material basis of Paris polyphylla var. yunnanensis, screening core efficacy-related quality markers through spectrum-effect relationships, and ensuring quality control and rational utilization of Paridis Rhizoma.
本研究旨在采用植物代谢组学、谱效关系分析、网络药理学和定量分析相结合的综合多策略方法，全面筛选质量标志物，从而为滇重楼及其近缘物种的质量控制提供依据。首先，采用超高效液相色谱-四极杆/飞行时间高分辨质谱联用技术结合主成分分析和偏最小二乘判别分析，从滇重楼的根、茎和叶中筛选出14种差异代谢物。其次，利用超高效液相色谱-四极杆/飞行时间高分辨质谱联用技术建立了滇重楼根、茎和叶的指纹图谱，分别鉴定出22个、26个和15个共有峰。通过整合灰色关联分析、双变量相关分析和偏最小二乘回归，从滇重楼中初步筛选出5个潜在的质量标志物（β-蜕皮甾酮、重楼皂苷VII、II、I和V）。随后，通过网络药理学和分子对接，最终确定了4个质量标志物（重楼皂苷VII、II、I和V）。最后，高效液相色谱-二极管阵列检测定量分析表明，滇重楼及其近缘物种在积累和储存这些质量标志物方面存在差异。综上所述，本研究对于阐明滇重楼的药效物质基础、通过谱效关系筛选核心药效相关质量标志物以及确保重楼的质量控制和合理利用具有重要意义。
