ABSTRACT
Objective:To construct the targeting evaluation method of traditional Chinese medicine （TCM） preparations based on supramolecular Qi chromatography theory， and to study the liver targeting effect of Bupleuri Radix on Pien Tze Huang. Method:The molecular connectivity index （MCI） was used to analyze the characteristics of imprinted template and liver targeting tendency of TCM mainly attributed to liver meridian and components of Pien Tze Huang， and combined with target dynamics and total statistical moment principle， aimed at the independent action characteristics of multi-component imprinted template of TCM， a method for evaluating the targeting of TCM preparations was established. Hepatoma rats in Pien Tze Huang group， Bupleuri Radix<italic> </italic>group， Pien Tze Huang+Bupleuri Radix group and blank group were tested and verified. Result:After the average value of MCI of TCM mainly attributed to liver meridian was deducted， the MCI similarity between Pien Tze Huang group and Bupleuri Radix group was 0.376 8， Pien Tze Huang+Bupleuri Radix group and Bupleuri Radix group was 0.988 2， so it was predicted that Bupleuri Radix could enhance the liver targeting of Pien Tze Huang. A system for evaluating the targeting of TCM compounds was established， including relative total uptake efficiency （RUE<sub>T</sub>）， relative total concentration （RC<sub>T</sub>）， relative imprinted tendency （RIT<sub>T</sub>） and relative imprinted variance （RIV<sub>T</sub>）. The RUE<sub>T</sub> and RC<sub>T</sub> of liver were the highest in all tissues （RUE<sub>T</sub>=1.88>1，RC<sub>T</sub><italic>=</italic>2.30>1）， and the corresponding values of other tissues were all <1， indicating that Pien Tze Huang combined with Bupleuri Radix could increase its distribution in liver and enhance liver targeting. Except for plasma， the RIT<sub>T</sub> and RIV<sub>T</sub> of other tissues fluctuated around 1.0， indicating that targeted modification did not change imprinted tendency of Pien Tze Huang and had no significant effect on the types of components. Conclusion:Under the guidance of supramolecular Qi chromatography theory， a targeting evaluation parameter system can be established to characterize the multi-component imprinted effect of TCM preparations by MCI and total statistical moment parameters， so as to realize the evaluation of targeting of TCM preparations. The addition of Bupleuri Radix can increase the liver targeting of Pien Tze Huang.
ABSTRACT
The application of modern scientific theories and technologies to explore the mechanism of Chinese medicine and its compounds is one of the key issues in realizing the modernization of traditional Chinese medicine （TCM） research. Chinese medicine and its compounds produce comprehensive pharmacodynamics through multiple components acting on multiple targets， the core of clarifying the mechanism is to solve the key scientific problems of static correlation and dynamic integration verification between the components and the target network topology. At present， the effective method to clarify the mechanism of Chinese medicine and its compounds is to statically correlate the topological network of in vitro components and targets through network pharmacology. Although there are also component-target verification studies， they often learn from research idea of single component-single target， it is urgent to establish a quantitative integration and overall verification method that conforms to the characteristics of TCM. According to supramolecular Qi chromatography theory of TCM， the microscopic mechanism of interaction between Chinese medicine and human body is actually the two supramolecular host and object groups （the active ingredient group of Chinese medicine and the target group of human body） based on imprinted template， which shows the macroscopic properties and pharmacodynamics. Based on this， the author proposes to use supramolecular Qi chromatography theory as the guidance， combined with supramolecular chemistry， network dynamics， quantitative pharmacology and other methods to quantitatively integrate and verify the compositions and the target groups with imprinted template as the core predicted by network pharmacology， looking for the optimal quality markers， greatly reducing the difficulty of multi-component-multi-target experimental verification of Chinese medicine and its compounds.
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Objective: To explore and confirm the imprinting equivalence of Lonicerae Japonicae Flos (LJF) and Lonicerae Flos (LF) based on the autonomous function of the supramolecular imprinted template, and provide a new solution for double followers dispute. Methods: Using LJF dregs, LF dregs, and Chrysanthemi Flos (CF) dregs as host molecules, and the water extract of LJF, LF, Shuanghuanglian (LJF), Shuanghuanglian (LF), Yinqiaosan (LJF), and Yinqiaosan (LF) as guest molecules, the selective absorb of three host molecules and six guest molecules was carried out. The change of fingerprint of water extract of guest molecules was determinated by HPLC. Then, the MRT and their difference value was calculated through the total quantum statistical moment method,and t-test was performed on it. Results: When the six guest molecules was absorbed by LJF and LF dregs, LJF and CF dregs, LF and CF dregs, the MRT difference value was conducted by t-test. The results were P1 = 0.94 > 0.05, P2 = 0.02 < 0.05, and P3 = 0.04 < 0.05. We can see that all guest molecules was absorbed by LJF and LF dregs. There was no significant difference in the MRT difference value. But when six guest molecules was absorbed by CF dregs. There was significant difference between CF and LJF and CF dreg in the MRT difference value. Conclusion: The statistical data indicated that similarity was existed in both “imprinted template” of LJF and LF. There was difference with CF. It is identified the exist of imprinting equivalence of LJF and LF, which is compatible with clinical medication.
ABSTRACT
Chinese materia medica (CMM) compound is the main form of clinical treatment of traditional Chinese medicine (TCM). The compatibility of CMM is one of the key scientific issues in the modernization of TCM. It has long been listed as a strategic issue. This article follows the natural attributes of TCM theory, and uses supramolecular chemistry to clarify the qualitative and quantitative effects of CMM compound and human body imprinting template: CMM and human body are giant and complex bio-molecular bodies, and there are corresponding groups of effective components of CMM and human diseases. The “imprinting template” produces a “gas evolution” according to the imprinting rule, and the compatibility of CMM can significantly change this effect, and it is preferable to study with supramolecular chemistry. Based on this, this paper first combs the historical evolution of CMM and the status quo of modern research, combined with supramolecular chemistry, puts forward seven key problems and research strategies to be solved, aiming at solving the key scientific problems of the modernization of TCM.
ABSTRACT
The safety and effectiveness of Chinese materia medica (CMM) depend on its quality, and the modernization of CMM quality control system is an important prerequisite for the internationalization of traditional Chinese medicine (TCM). Up to now, the quality research approach of CMM is the key technology for TCM industry. In recent years, with the development of modern life science, chemistry science, analytical science and technology, the quality research level of CMM has been greatly improved, but it still stays on the two evaluation models based on chemical composition and biological effect. For single compound, because the effect is proportional to the content of components, the chemical composition can be used for quality control. However, for multi-component system of CMM, how to establish the dose-effect relationship between effects and components and find the markers reflecting their quality has become the focus of the quality control of CMM for TCM industry. Based on the theory of supramolecular “imprinting template” and “Qi-xi” put forward earlier, this paper first analyzed the characteristics of supramolecular “imprinting template” for the quality of CMM, clarified the essence of quality control of CMM, and proposed the attributes of supramolecular “imprinting template” to reflect the main effect of CMM. The control strategy of quality markers of CMM represented by core index will provide a new and more accurate characterization and calculation model for quality control of CMM.
ABSTRACT
Chinese materia medica (CMM) is a multi-component system. In addition to the study on single-component druggability, the focus should be also on how to integrate the rules of single-component druggability to construct a research system of suitable multi-component druggability of CMM. According to the basic theory of CMM guidance, the druggability of CMM has been accumulated by long-term clinical practice experience, and the curative effect is affirmed. The most critical issue is how to determine the attribution and intermolecular interaction of the well-defined CMM component group and develop a component CMM. However, how to integrate the physicochemical and biological apparent properties of the multi-component based on the apparent physical and chemical properties of the single-component is the key to the study on druggability and preparation modification of CMM. Therefore, the druggability study of the single-component medicine and the study of the change rules of multi-component CMM druggability by using compatibility principle of CMM and modern supramolecular chemistry theory are needed to performed to study on the druggability of CMM. The combination of CMM druggability, preparations and chemical modifications can maximize the success rate of the development of new CMMs. The characteristic of the autonomous “Qi-xi” for CMM “imprinting template” of supramolecules has an important guiding role in druggability research of CMM both in theory and practice.
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More and more disputes have happened to confront continuously since the separation of Lonicera Japonicae Flos and Lonicerae Flos in the 2005 edition of Chinese Pharmacopoeia, however, there are no differences in the properties, flavors, and channel tropism, functions of curing, usage and dosage in the 2015 edition of Chinese Pharmacopoeia. By consulting literatures on the medical history, identification, chemical composition, pharmacological action, quality control, and other aspects of Lonicera Japonicae Flos and Lonicerae Flos at home and abroad in recent years, we explore the similarities and differences between Lonicera Japonicae Flos and Lonicerae Flos, and the key issues of quality control in order to solve the problem of the combination and separation between them, which can lay a foundation for promoting the development of traditional Chinese medicinal materials industry.
ABSTRACT
To investigate the effect of the ingredient group of traditional Chinese medicine (TCM) with different "imprinted template" on the supramolecular solubilization ability of licorice, in order to lay a theoretical foundation for explaining the solubilization phenomenon of the components of TCM. Based on the independent supramolecular "imprinted template" rules, molecular connectivity index (MCI) and the correlation of n-octanol-water partition coefficient (logP) were used to indicate hydrophilic lipophilic capacity of TCM, and the extractum rate was used to indicate the solubilization effect of licoriceon single TCM herbs or compounds. The solubilization ability of licorice was evaluated based on MCI, logP and the extractum rate. According to the results, the correlation coefficient between MCI and logP for single herbs was 0.942, and that for single herb adding licorice was 0.916. The extractum rate of most herbs was increased after adding licorice. The correlation coefficient among the extractum rate as well as MCI and logP change values before and after adding licorice were respectively 0.837, 0.405. The correlation coefficient between MCI and logP for eight compounds was 0.937. Meanwhile, licorice had a solubilization effect on the remaining 7 compound except for Huangqi decoction. Therefore, licorice shows the solubilization effect through the independent supramolecular "imprinted template", so as to improve the hydrophilic lipophilic ability. There was a high positive correlation between the MCI and logP in ingredients for TCM, which could be used as important parameters to indicate the "imprinted template" feature for components of TCM. The study on the solubilizing effect of TCM with the supramolecular "imprinted template" theory was feasible, and will lay a foundation for the reform of single-herb dosage form.