Guo Jing, Wang Jiaxiao, Iino Keiko, Tomita Masaru, Soga Tomoyoshi
Institute for Advanced Biosciences, Keio University, 246-2 Mizukami, Kakuganji, Tsuruoka 997-0052, Japan.
Graduate School of Media and Governance, Keio University, 5322 Endo, Fujisawa 252-0882, Japan.
Evid Based Complement Alternat Med. 2021 Mar 5;2021:6646507. doi: 10.1155/2021/6646507. eCollection 2021.
Based on the theory of traditional Chinese medicine, Chinese herbs possess four different medicinal properties: hot, warm, cold, and cool. These serve as a reference guide for these herbal medicines. However, the molecular mechanisms supporting their relevance remain unclear.
We performed metabolomics based on capillary electrophoresis-time-of-flight mass spectrometry (CE-TOF/MS) and multivariate data analysis for the structural identification of compounds of cold- and hot-natured Chinese herbs.
To this end, 30 selected herbs were analyzed and a total of 416 metabolites were identified via CE-TOF/MS, of which 193 compounds were detected in most herbs. The observed profiles offered the potential to understand the mechanism of association between the compounds and nature of the Chinese herbs. Comparison of the similarity in terms of chemical and molecular structures and content revealed that hot-natured herbs contained more nucleotides. In contrast, principal component analysis revealed the presence of more amino acid compounds in cold-natured herbs.
Comparing the structural similarities between the samples using the Tanimoto coefficient revealed that a general non-specific structure was observed between cold- and hot-natured herbs; however, the distribution of the molecular groups seemed to contribute more toward the energy properties.
根据中医理论，中药具有寒、热、温、凉四种不同的药性，这些药性为中药提供了参考指南。然而，支持其相关性的分子机制仍不清楚。
我们基于毛细管电泳-飞行时间质谱（CE-TOF/MS）进行了代谢组学研究，并通过多变量数据分析对寒、热药性中药的化合物进行结构鉴定。
为此，对30种选定的草药进行了分析，通过CE-TOF/MS共鉴定出416种代谢物，其中193种化合物在大多数草药中都能检测到。观察到的图谱为理解这些化合物与中药药性之间的关联机制提供了可能。对化学和分子结构及含量的相似性比较表明，热性草药含有更多的核苷酸。相比之下，主成分分析显示寒性草药中存在更多的氨基酸化合物。
使用塔尼莫托系数比较样品之间的结构相似性表明，寒、热药性草药之间观察到一种一般的非特异性结构；然而，分子基团的分布似乎对能量特性的贡献更大。
