Zhang Huihui, Zhang Yingzhi, Li Jiahao, Fan Chuanjiang, Gu Junjie, Jin Yinzhi, Tong Yingpeng
Traditional Chinese Medicine Pharmacy, Affiliated Dongyang Hospital of Wenzhou Medical University, Jinhua 322100, China.
Institute of Natural Medicine and Health Products, School of Pharmaceutical Sciences, Taizhou University, Zhejiang 318000, PR China.
ACS Omega. 2023 Feb 8;8(7):6515-6522. doi: 10.1021/acsomega.2c06885. eCollection 2023 Feb 21.
Traditional Chinese medicine (TCM) in-hospital preparations are approved for use only in the hospital where they are prepared. They are widely used in China because of their efficacy and affordable price. However, few researchers focused on their quality controls and treatment mechanisms, for which a key consideration is the elucidation of their chemical composition. Runyan mixture (RY) is a typical in-hospital TCM preparation comprising a formula of eight herbal drugs used for adjuvant therapy of upper respiratory tract infections. The chemical constituents of formulated RY have not yet been elucidated. In the present work, RY was analyzed by a ultrahigh-performance liquid chromatography system equipped with high-resolution orbitrap mass spectrometry (MS). The acquired MS data were processed by MZmine and a feature-based molecular networking was constructed to identify the metabolites of RY. 165 compounds including 41 flavonoid -glycosides, 11 flavonoid C-glycosides, 18 quinic acids, 54 coumaric acids, 11 iridoids, and 30 others were identified. This study demonstrates an efficient method to identify compounds in complex herbal drug mixtures using high-resolution MS and molecular networking tools which will support future research into quality controls and treatment mechanisms of in-hospital TCM preparations.
中药院内制剂仅被批准在其制备的医院内使用。由于其疗效和价格实惠，它们在中国被广泛使用。然而，很少有研究人员关注其质量控制和治疗机制，其中一个关键考虑因素是阐明其化学成分。润咽合剂（RY）是一种典型的中药院内制剂，由八种草药组成的配方，用于上呼吸道感染的辅助治疗。配方后的RY的化学成分尚未阐明。在本研究中，使用配备高分辨率轨道阱质谱（MS）的超高效液相色谱系统对RY进行分析。通过MZmine处理获得的MS数据，并构建基于特征的分子网络以鉴定RY的代谢产物。鉴定出165种化合物，包括41种黄酮糖苷、11种黄酮碳苷、18种奎宁酸、54种香豆酸、11种环烯醚萜和30种其他化合物。本研究展示了一种使用高分辨率MS和分子网络工具鉴定复杂草药混合物中化合物的有效方法，这将支持未来对中药院内制剂质量控制和治疗机制的研究。
