State Key Laboratory of Medicinal Chemical Biology and College of Pharmacy, Tianjin Key Laboratory of Molecular Drug Research, Nankai University, Tianjin 300350, People's Republic of China.
Department of Traditional Chinese Medicine, State Key Laboratory of Drug Delivery and Pharmacokinetics, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, People's Republic of China.
Phytomedicine. 2018 May 15;44:109-116. doi: 10.1016/j.phymed.2018.01.017. Epub 2018 Jan 31.
The quality of traditional Chinese medicine (TCM) forms the foundation of its clinical efficacy. The standardization of TCM is the most important task of TCM modernization. In recent years, there has been great progress in the quality control of TCM. However, there are still many issues related to the current quality standards, and it is difficult to objectively evaluate and effectively control the quality of TCM.
To face these challenge, we summarized the current quality marker (Q-marker) research based on its characteristics and benefits, and proposed a reasonable and intelligentized quality evaluation strategy for the development and application of Q-markers.
Ultra-performance liquid chromatography-quadrupole/time-of-flight with partial least squares-discriminant analysis was suggested to screen the chemical markers from Chinese medicinal materials (CMM), and a bioactive-guided evaluation method was used to select the Q-markers. Near-infrared spectroscopy (NIRS), based on the distinctive wavenumber zones or points from the Q-markers, was developed for its determination. Then, artificial intelligence algorithms were used to clarify the complex relationship between the Q-markers and their integral functions. Internet and mobile communication technology helped us to perform remote analysis and determine the information feedback of test samples.
The quality control research, evaluation, standard establishment and quality control of TCM must be based on the systematic analysis of Q-markers to study and describe the material basis of TCM efficacy, define the chemical markers in the plant body, and understand the process of herb drug acquisition, change and transmission laws affecting metabolism and exposure. Based on the advantages of chemometrics, new sensor technologies, including infrared spectroscopy, hyperspectral imaging, chemical imaging, electronic nose and electronic tongue, have become increasingly important in the quality evaluation of CMM. Inspired by the concept of Q-marker, the quantitation can be achieved with the help of artificial intelligence, and these subtle differences can be discovered, allowing the quantitative analysis by NIRS and providing a quick and easy detection method for CMM quality evaluations.
The concept of Q-markers focused on unique CMM differences, dynamic changes and their transmission and traceability to establish an overall quality control and traceability system. Based on the basic attributes, an integration model and artificial intelligence research path was proposed, with the hope of providing new ideas and perspectives for the TCM quality management.
中药的质量是其临床疗效的基础。中药标准化是中药现代化的最重要任务。近年来，中药质量控制取得了很大进展。然而，目前的质量标准仍然存在许多问题，难以客观评价和有效控制中药的质量。
针对这些挑战，我们总结了目前基于质量标志物（Q-marker）的特点和优势的研究，并为 Q-marker 的开发和应用提出了合理和智能化的质量评价策略。
建议采用超高效液相色谱-四极杆/飞行时间与偏最小二乘判别分析相结合的方法从中药材（CMM）中筛选化学标志物，并采用基于生物活性的评价方法选择 Q-marker。近红外光谱（NIRS）基于 Q-marker 的独特波数区或点进行开发，用于其测定。然后，利用人工智能算法阐明 Q-marker 与其整体功能之间的复杂关系。互联网和移动通信技术帮助我们进行远程分析并确定测试样品的信息反馈。
中药的质量控制研究、评价、标准制定和质量控制必须基于 Q-marker 的系统分析，以研究和描述中药功效的物质基础，定义植物体内的化学标志物，了解影响代谢和暴露的草药药物获取、变化和传递规律。基于化学计量学的优势，包括红外光谱、高光谱成像、化学成像、电子鼻和电子舌在内的新型传感器技术在 CMM 质量评价中变得越来越重要。受 Q-marker 概念的启发，可以借助人工智能实现定量分析，发现这些细微差异，通过 NIRS 进行定量分析，并为 CMM 质量评价提供快速简便的检测方法。
Q-marker 概念侧重于独特的 CMM 差异、动态变化及其传递和可追溯性，以建立全面的质量控制和可追溯性系统。基于基本属性，提出了一个集成模型和人工智能研究路径，希望为中药质量管理提供新的思路和视角。
