Department of Pharmacy, Xiangya Hospital, Central South University, Changsha, 410008, China; Institute of Hospital Pharmacy, Central South University, Changsha, 410008, China; Institute for Rational and Safe Medication Practices, National Clinical Research Center for Geriatric Disorders, Xiangya Hospital, Central South University, Changsha, 410008, China.
Yunnan Institute of Food Safety, Kunming University of Science and Technology, Kunming, 650500, China.
J Chromatogr A. 2019 Aug 30;1600:197-208. doi: 10.1016/j.chroma.2019.04.051. Epub 2019 Apr 18.
A Chinese herbal formula of Anti-Renal Interstitial Fibrosis I Decoction (ARIF I) is composed of Eucommia ulmoides Oliv., Scutellaria baicalensis Georgi, and Rheum. officinale Baill., and it has been used for the treatment of chronic kidney disease for many years. However, the comprehensive chemical analysis of the formulated ARIF I has yet to be clarified. In this study, an ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap high resolution mass spectrometry (UHPLC/Q-orbitrap HRMS) method executed in full scan/data-dependent MS (full MS/dd-MS) mode has been established in negative ion mode to analyze the major chemical constituents in ARIF I as well as in its three constituent herbs. To rapidly and efficient identify these compounds, we employed a combination of statistical analysis of the MS data and fragmentation pathway method to screen for elementary characteristic ions and sub-characteristic ions. Then, we applied multifold characteristic ion filtering to comprehensively profile ARIF I extract chemical constituents with diverse structures. A total of 360 compounds, including anthraquinones, sennosides, galloyl glucoside derivatives, catechin and its derivatives, flavonoids, iridoids, phenylpropanoids, lignan, organic acid, and other compounds were rapidly identified or tentatively characterized by multifold characteristic ion filtering based on their accurate mass spectra (within 5 ppm error) and structure types or by comparison with reference standards. All the ARIF I compounds were also detected in the individual constituent herbs. This study provides a basis for further pharmacokinetic studies of ARIF I and may help in the discovery of new chemical drugs to treat chronic kidney disease. This study also provides a more efficient approach for the screening of appropriate characteristic ions, and a practical strategy for the detection of the types of compounds identified in this study in other herbal medicines.
一种名为抗肾间质纤维化 I 号方（ARIF I）的中药复方由杜仲、黄芩和大黄组成，多年来一直用于治疗慢性肾脏病。然而，其配方的综合化学分析尚未阐明。本研究建立了一种超高效液相色谱-混合四极杆轨道阱高分辨质谱（UHPLC/Q-orbitrap HRMS）在负离子模式下的全扫描/数据依赖性 MS（full MS/dd-MS）模式，用于分析 ARIF I 及其三种组成草药中的主要化学成分。为了快速有效地鉴定这些化合物，我们采用了 MS 数据分析和碎片途径方法的组合，筛选基本特征离子和亚特征离子。然后，我们应用多重特征离子过滤，全面分析 ARIF I 提取物中具有不同结构的化学成分。通过多倍特征离子过滤，根据精确质量谱（误差在 5 ppm 以内）和结构类型或与对照品的比较，快速鉴定或初步鉴定了 360 种化合物，包括蒽醌类、番泻苷、没食子酰葡萄糖苷衍生物、儿茶素及其衍生物、黄酮类、环烯醚萜类、苯丙素类、木脂素、有机酸等化合物。所有 ARIF I 化合物也在单个组成草药中被检测到。该研究为进一步研究 ARIF I 的药代动力学提供了基础，并可能有助于发现治疗慢性肾脏病的新化学药物。该研究还为筛选合适的特征离子提供了更有效的方法，并为在其他草药中检测本研究中鉴定的化合物类型提供了实用策略。
