Chen Jia-Qian, Chen Yan-Yan, Du Xia, Tao Hui-Juan, Pu Zong-Jin, Shi Xu-Qin, Yue Shi-Jun, Zhou Gui-Sheng, Shang Er-Xin, Tang Yu-Ping, Duan Jin-Ao
Key Laboratory of Shaanxi Administration of Traditional Chinese Medicine for TCM Compatibility, State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources (Cultivation), Shaanxi Key Laboratory of Chinese Medicine Fundamentals and New Drugs Research, Shaanxi Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Shaanxi University of Chinese Medicine, 712046, Xi'an, Shaanxi Province, China.
Jiangsu Key Laboratory for High Technology Research of TCM Formulae, Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, and National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine, Nanjing University of Chinese Medicine, 210023, Nanjing, Jiangsu Province, China.
Chin Med. 2022 Apr 26;17(1):50. doi: 10.1186/s13020-022-00612-9.
Rhei Radix et Rhizoma (rhubarb), as one of the typical representatives of multi-effect traditional Chinese medicines (TCMs), has been utilized in the treatment of various diseases due to its multicomponent nature. However, there are few systematic investigations for the corresponding effect of individual components in rhubarb. Hence, we aimed to develop a novel strategy to fuzzily identify bioactive components for different efficacies of rhubarb by the back propagation (BP) neural network association analysis of ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry for every data (UPLC-Q-TOF/MS) and integrated effects.
Through applying the fuzzy chemical identification, most components of rhubarb were classified into different chemical groups. Meanwhile the integration effect values of different efficacies can be determined by animal experiment evaluation and multi-attribute comprehensive indexes. Then the BP neural network was employed for association analysis of components and different efficacies by correlating the component contents determined from UPLC-Q-TOF/MS profiling and the integration effect values. Finally, the effect contribution of one type of components may be totaled to demonstrate the universal and individual characters for different efficacies of rhubarb.
It suggested that combined anthraquinones, flavanols and their polymers may be the universal character to the multi-functional properties of rhubarb. Other components contributed to the individuality of rhubarb efficacies, including stilbene glycosides, anthranones and their dimers, free anthraquinones, chromones, gallic acid and gallotannins, butyrylbenzenes and their glycosides.
Our findings demonstrated that the bioactive components for different efficacies of rhubarb were not exactly the same and can be systematically differentiated by the network-oriented strategy. These efforts will advance our knowledge and understanding of the bioactive components in rhubarb and provide scientific evidence to support the expansion of its use in clinical applications and the further development of some products based on this medicinal herb.
大黄作为多效性传统中药的典型代表之一，因其成分多样而被用于治疗多种疾病。然而，针对大黄中各成分相应作用的系统研究较少。因此，我们旨在开发一种新策略，通过对超高效液相色谱/四极杆飞行时间质谱（UPLC-Q-TOF/MS）数据和综合效应进行反向传播（BP）神经网络关联分析，模糊识别大黄不同功效的生物活性成分。
通过应用模糊化学识别，将大黄的大多数成分分为不同化学组。同时，不同功效的综合效应值可通过动物实验评估和多属性综合指标确定。然后，利用BP神经网络对UPLC-Q-TOF/MS分析确定的成分含量与综合效应值进行关联分析，以研究成分与不同功效之间的关系。最后，汇总某类成分的效应贡献，以揭示大黄不同功效的共性和个性特征。
结果表明，结合蒽醌、黄烷醇及其聚合物可能是大黄多功能特性的共性特征。其他成分则导致了大黄功效的个性差异，包括芪苷、蒽酮及其二聚体、游离蒽醌、色酮、没食子酸和没食子单宁、丁酰苯及其糖苷。
我们的研究结果表明，大黄不同功效的生物活性成分并不完全相同，可通过面向网络的策略进行系统区分。这些工作将增进我们对大黄生物活性成分的认识和理解，并为支持其在临床应用中的拓展以及基于这种草药的某些产品的进一步开发提供科学依据。
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