Wang Bin, Yu Xiaojun, Liu Yihan, Zhao Mingzhe, Li Xuejie, Huang Luyao, Li Jia
College of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, Shandong Province, China.
Institute of Pharmaceutical Research, Shandong University of Traditional Chinese Medicine, Jinan, Shandong Province, China.
Biomed Chromatogr. 2025 Sep;39(9):e70182. doi: 10.1002/bmc.70182.
Xiaoqinglong decoction (XQLT), a classical traditional Chinese medicine (TCM) formula, has demonstrated significant efficacy in the treatment of asthma. However, existing quality evaluation methods for this compound lack direct correlation with its therapeutic effects. This study aims to identify the chemical constituents of XQLT and establish quality markers (Q-Markers) associated with its efficacy in asthma treatment. UHPLC-Q-Exactive Orbitrap MS, assisted by comprehensive database analysis, was employed for the total component analysis of XQLT. This approach facilitated the evaluation of Q-Markers based on the principles of component testability, ingredient specificity, and formula compatibility environment. The identified compounds were subsequently subjected to network pharmacology, bioinformatics, and molecular docking analyses to further assess their component validity and traceability. A total of 143 chemical components were identified, including flavonoids, terpenoids, and steroids, organic acids, phenylpropanoids, alkaloids, sugars and derivatives, and other components. Seven key compounds, 18β-glycyrrhetinic acid, liquiritin, formononetin, liquiritigenin, 6-gingerol, neoisostegane, and 2-Methoxycinnamaldehyde, were proposed as potential Q-Markers for XQLT in asthma treatment. The establishment of Q-Markers not only enhances the understanding of XQLT's therapeutic mechanisms but also provides a scientific basis for its pharmacodynamic material foundation and quality control.
小青龙汤（XQLT）是一种经典的中药方剂，已证明在治疗哮喘方面具有显著疗效。然而，该复方现有的质量评价方法与其治疗效果缺乏直接相关性。本研究旨在鉴定小青龙汤的化学成分，并建立与其哮喘治疗疗效相关的质量标志物（Q-标志物）。采用超高效液相色谱-四极杆-静电场轨道阱质谱（UHPLC-Q-Exactive Orbitrap MS），并辅以综合数据库分析，对小青龙汤进行全成分分析。该方法基于成分可测性、成分特异性和方剂配伍环境的原则，便于对Q-标志物进行评价。随后，对鉴定出的化合物进行网络药理学、生物信息学和分子对接分析，以进一步评估其成分的有效性和可追溯性。共鉴定出143种化学成分，包括黄酮类、萜类、甾体类、有机酸类、苯丙素类、生物碱类、糖类及其衍生物等其他成分。提出了7种关键化合物，即18β-甘草次酸、甘草苷、芒柄花素、甘草素、6-姜酚、新异斯替甘、2-甲氧基肉桂醛，作为小青龙汤治疗哮喘的潜在Q-标志物。Q-标志物的建立不仅增进了对小青龙汤治疗机制的理解，也为其药效物质基础和质量控制提供了科学依据。
