ABSTRACT
The present work is to analyze the HPLC fingerprints of mulberry-sourced materials(Mori Ramulus, Mori Folium, Muri Cortex, Mori Fructus) using the fingerprint division total statistical moment method and information entropy, and to study the diffe-rences of the chemical components and the overall characteristics of the imprinting template in different parts of mulberry-sourced medicinal materials, so as to provide the basis for finding the effective substances in response to "homologous and different effect" of mulberry(Morus alba). The fingerprints of 24 batches of mulberry-related materials, such as Mori Ramulus, Mori Folium, Muri Cortex, Mori Fructus, were established, and the similarities and differences of the fingerprints were analyzed by calculating the division total statistical moment parameters and information entropy. The AUC_T, MCRT_T, VCRT_T and H values of 24 batches of mulberry-sourced materials were less than 0.05, with significant difference. Among them, all samples showed absorption peaks within 3-11, and 20-24 min, indicating that the four types had the identical or similar chemical composition in the same time period. After 34 min, none of the four types showed absorption peaks. Greater VCRT_T value of the fingerprints of the four kinds was observed at the retention time ranges of 3-4, 16-18, 25-27, and 31-32 min, indicating that the components of the four kinds were significantly different in these time periods; and VCRT_T value of the mulberry was significantly higher than that of the other three kinds of medicinal materials at the retention time windows of 3-4 and 15-17 min; the VCRT_T value of the mulberry white skin was significantly higher at the time windows of 8-10 and 28-30 min; the VCRT_T value of all four kinds was significantly higher within 21-23 min, indicating that the four herbs contain the same or similar components in the chromatogram during this period, but there may be significant differences between the content and the proportion. In addition, the information entropy of mulberry branches is the largest at 7-12, 23-27 min, and that of mulberry fruits is the largest at 2-8 min, which indicates that the components of mulberry branches and mulberry fruits respond greatly in the corresponding period of time, which is also the main peak period of their chemical components. For the chemical components and corresponding efficacy here. The results showed that there are significant differences in the components and contents of mulberry-sourced medicinal materials. The division total statistical moment and information entropy of the total amount of segments can be used to analyze the differences in the components of "homology and different effects", which could provide a more comprehensive analysis method for the determination of quality markers.
Subject(s)
Chromatography, High Pressure Liquid , Entropy , Fruit , Morus , Plant LeavesABSTRACT
Under the guidance of the theory of traditional Chinese medicine （TCM）， charcoal drugs are widely used in clinical treatment of various bleeding syndromes， in addition， they also have the effect in anti-diarrhea and anti-ulcer， but charcoal drugs are especially effective in stopping bleeding. According to the changes in the properties after processing， the hemostatic effect of charcoal drugs can be roughly divided into two categories. One is not used for hemostasis itself， but used for hemostasis after processing. The other is used for hemostasis itself， and the drug properties are changed or the hemostatic ability is enhanced after processing. By summarizing researches on historical evolution， processing mechanism and pharmacological effects of the commonly used hemostatic charcoal drugs， the author found that preservation or increase of active substances after processing was closely related to the hemostatic effect of charcoal drugs. The hemostatic mechanism mainly involves the influence of coagulation system and platelet function， etc. At the same time， combined with the theory of Qi chromatograph of TCM supramolecular， this paper puts forward the supramolecular research strategy on hemostatic mechanism of charcoal drugs， in order to provide reference for revealing the scientific connotation of charcoal drugs for hemostasis.
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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.
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In this paper, based on the supramolecular "Qi chromatography" of traditional Chinese medicine (TCM), combined with the characteristics of corona virus disease 2019 (COVID-19), the historical origin and characteristics of theoretical research on the treatment of epidemic diseases by TCM were analyzed retrospectively, and the key scientific problems for achieving its modernization were proposed, and the countermeasures were illustrated. In fact, the emergence and development history of TCM epidemic theory is a comprehensive and scientific understanding of biomolecular chemistry for epidemic caused by pathogen. From the exploration of the cause of abnormal Qi to the epidemic pathogenic factor, from the treatment based on syndrome differentiation by six meridians to by the defensive Qi and nutrient blood and the triple energizer, which is gradually close to the modern theoretical system of infectious diseases and immunology, all of which are stamped with brand of TCM supramolecular "Qi chromatography" theory. In the long history of biological evolution in nature, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) as epidemic pathogenic factor in TCM, human body and Chinese materia medica are biological supramolecules at a specific stage of evolution in nature, which are controlled by the "imprinting templates" of molecular society in gradual biomolecules, with the unchanged laws of mutual advancement, mutation, suitability and mutual restriction. Based on the analysis of the law of supramolecular action hiding in the prevention and treatment of epidemic diseases dealt with TCM on procession of principle-method-recipe-medicines, this paper discusses the key scientific problems of its modernization and puts forward the solutions. It can not only clarify the scientific principle of the prevention and treatment with TCM, develop the multi-component Chinese medicine, accelerate the control of the epidemic situation, but also promote the solution of original frontier key scientific problems such as the material basis of meridians, viscera and syndromes, and the compatibility law of the TCM prescription, in order to protect the existing medical resources and open up a new situation in the modernization of TCM research.
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Objective:The molecular connectivity index method and total statistical moment method were used to control the quality of traditional Chinese medicine （TCM）， and the stability and consistency of volatile components of Lonicerae Japonicae Flos and Lonicerae Flos were clarified. Method:Volatile oils in Lonicerae Japonicae Flos and Lonicerae Flos from different producing areas was extracted for GC-MS determination with electron bombardment ion source， ion source temperature of 230 ℃， and detection range of m/z 35-650. Then National Institute of Standards and Technology （NIST） 05 and ChemicalBook database were used for qualitative analysis of these volatile components， the peak area normalization method was used for quantitative analysis， and the total statistical moment parameters and the zero-order， first-order， second-order， third-order molecular connectivity indexes of the components were calculated. Result:Number of peaks （RSD were 28.5%， 33.4%， respectively）， total zero-order moments （RSD were 55.5%， 128.9%， respectively） and total second-order moments （RSD were 15.3%， 21.5%， respectively） of 10 batches of Lonicerae Japonicae Flos and Lonicerae Flos were unstable， indicating that the types and contents of volatile components fluctuated sharply， but the total first-order moments （RSD were 7.5%， 8.8%， respectively） and the zero-order， first-order， second-order and third-order molecular connectivity indexes （RSD ranged from 8.1% to 10.3% and 4.2% to 5.5%， respectively） were relatively stable， indicating that the overall "imprinting template" of the components was similar. Statistical analysis of each parameter found that there were no significant differences in the number of peaks， total first-order moments and zero-order， first-order， second-order， third-order molecular connectivity indexes between volatile oils from Lonicerae Japonicae Flos and Lonicerae Flos. Conclusion:Under the guidance of supramolecular gas evolution "imprinting template" theory， the molecular connectivity index method and total statistical moment parameters are used to jointly characterize the "imprinting template" of TCM components in vitro， which can control the stability and consistency of TCM quality.
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The “eighteen incompatible medicaments” is an important content of Chinese materia medica (CMM) compatibility contraindication, involving the key basic problem of safe and effective clinical use of CMM. Based on the rule of the automatic action of supramolecular “imprinting template” previously proposed, the current research basis of “eighteen incompatible medicaments” were integrated and analyzed. Firstly, the history of “eighteen incompatible medicaments” were summarized, then the theory of Chinese materia medica (CMM) compatibility was interpreted by supramolecular “imprinting template”: the compatibility of CMM are that two or more than two kinds of CMM effective components group of molecules (object) are combined by non-covalent bonds, and the new formed supramolecular system and the human body (subject) are interacted with each other according to “imprinting template”, and then the toxicity and efficacy were generated, while the compatibility law of CMM is displayed macroscopically. Based on this, three groups of “eighteen incompatible medicaments” were discussed from the perspective of supramolecular chemistry, and the supramolecular method integrating toxicity with efficacy was put forward, including “chemicalkinetics”, “network kinetics” and “spectrum toxicity and efficacy kinetics” methods, thereby providing the ideas and reference for the research on the mechanism of “eighteen incompatible medicaments” and providing reference for clinical application.
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Objective: To investigate the interaction between the components of Buyang Huanwu Decoction (BYHWD) and the targets associated with ischemic stroke by using molecular docking technique, and explore the effective material basis and main targets of BYHWD. Methods: A total of 46 key protein targets associated with cerebral infarction of the human body were selected, 204 components of BYHWD were screened from the TCMSP database, and these components and targets were docked using molecular docking technology, thereby to get the Total Score. Cytoscape3.7.1 software was applied to establish network model of component-protein targets. At the same time, total quantum statistical moment similarity method was used to analyze the imprinting behaviors of these targets. Results: From molecular docking results, 22 components had good interactions with 40 or more protein targets, and 22 protein targets had good interactions with 80 or more components for the treatment of cerebral infarction. Conclusion: Molecular docking method can be used to find the active ingredients and main targets of BYHWD in treating ischemic stroke, providing certain reference for further study on the mechanism of BYHWD in treating ischemic stroke.
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Research and development of classical prescription of Chinese medicine has become one of the hot spots in the research of traditional Chinese medicine (TCM), and the successful development of the primary standard is crucial to the application of the classical prescription of Chinese medicine. Primary standard of classical prescription is not only the benchmark to measure the quality of preparation of classical prescription, but also the material basis of whole prescription. The development and quality control mode of single component of western medicine is not suitable for the development of TCM preparation with integral medicinal function. Thus, it is very urgent to develop an exclusive research and development model for TCM. In order to break through the quality control technology of primary standard of classical prescription, and comprehensively and accurately elucidate the transmission rule of the component group value of medicinal materials-decoction pieces-primary standard of classical prescription with the present modern science and technology, the genetic polymorphism of TCM, extraction kinetics, total quantum statistical moment (similarity) method of fingerprint and supramolecular imprinting template were combined and applied to the development of primary standard of classical prescription. In this way, the development and quality control of TCM will be realized in a real sense and the development of classical prescription of Chinese medicine will be accelerated and promoted.
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Objective:To establish a mathematical model of total statistical moment, information amount and one-time steady-state feeding quantity of HPLC fingerprint of traditional Chinese medicines (TCMs) and their classical prescriptions, and to carry out experimental verification. Method:The total statistical moment principle, Hardy-Weinberg equilibrium principle and one-time steady-state feeding quantity calculation method were used to study the total statistical moment parameters and one-time steady-state feeding quantity of 15 batches of original medicinal materials, decoction pieces and compound preparations of Taohong Siwutang, these original medicinal materials were from three producing areas. Result:In addition to the total first-order moment, RSD of total zero-order moment, total second-order moment, information entropy and information amount of each medicinal material, decoction piece and compound were all greater than 10%. In the case of single original medicinal material, except for Angelicae Sinensis Radix (142.34 kg), the one-time steady-state feeding quantity calculated according to the RSD change of the accumulated information amount of the whole prescription was the largest (59.10 kg), and according to ratio of the whole prescription, one-time steady-state feeding quantity was the largest (958.57 kg). In the case of processed products, the one-time steady-state feeding quantity of the whole prescription was the largest (73.18 kg) except for Carthami Flos processed with wine (83.28 kg), while according to the whole prescription, one-time steady-state feeding quantity of each processed products was the same as that of the original medicinal material. The one-time steady-state feeding quantity of the compound consisted of the original medicinal materials or processed products was often higher than that of the single medicinal material. Conclusion:The components of TCM are controlled by genetic polymorphism, the chromatographic characteristics (types of components) of Chinese medicine is similar and the intensity of action (content of components) is different. The stability of total first-order moment and information entropy indicates that the overall chemical structure of TCM multi-component system has a stable imprinting trend. The one-time steady-state feeding quantities of each medicinal material in Taohong Siwutang and this compound are far greater than the prescription amount, which can provide reference for the industrial production.
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The ancient famous classical formulas were developed based on the characteristics of excellent curative effect, small toxic and side effects, and wide clinical application. Its development will promote the development of traditional Chinese medicine (TCM) with huge social and economic benefits. TCM and TCM compounds are multi-component systems, which are multi-component, multi-target and multi-pathway effect on human body, their curative effect is the result of synergistic effect of multi-component. Because of its characteristics, its mechanism of action is still unclear and quality is difficult to control. Therefore, on the basis of biological properties of the multi-components of TCM, it is the key issue to study the preparation process of the medicinal materials-decoction pieces-preparations and the transferability, stability and homogeneity of the quality attributes. Moreover, the supramolecular theory can explain the basic theory of TCM from the macroscopic and microscopic aspects, the study of ancient famous classical formulas can use the supramolecular theory. Both TCM and human body are giant complex supramolecules, and their components are clustered objects reflecting the characteristics of the original imprinting template with genetic polymorphism. The quality attributes, processing, formulation preparation and quality attribute evaluation of TCM are all affected by supramolecular chemistry, which is finally reflected in the preparation of imprinting template and the transfer law of quality properties. Therefore, the application of supramolecular imprinting template theory to study the biogenetic polymorphism of TCM, processing, formulation preparation and quality attribute evaluation of medicinal materials can improve the availability rate of successful research and development of ancient famous classical formulas.
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Objective: To evaluate the HPLC fingerprints of Lonicerae Japonicae Flos and Lonicerae Flos by total statistical moment analysis,in order to provide a basis for studying the nature of the "heterologous effect" phenomenon. Method: HPLC fingerprints of Lonicerae Japonicae Flos and Lonicerae Flos were established,and the statistical moment parameters and similarity were evaluated by total statistical moment method. Result: According to the total statistical moment parameters of the 10 batches of Lonicerae Japonicae Flos samples, RSDs of AUCT,λT, σT2 were 27.537%,1.685%,and 8.346%. According to the total statistical moment parameters of the 10 batches of Lonicerae Flos samples, RSDs of AUCT, λT, σT2 were 14.752%,2.155% and 2.882%. The similarity of 10 batches of Lonicerae Japonicae Flos fingerprints was above 0.92,and the similarity of 10 batches of Lonicerae Flos were above 0.93. The 10 batches of Lonicerae Japonicae Flos and the 10 batches of Lonicerae Flos fingerprints were compared,and the similarity was above 0.84. Conclusion: According to the results,the similarity of the Lonicerae Japonicae Flos and Lonicerae Flos fingerprints was very high,which indicated a similarity in chemical composition and composition ratio between Lonicerae Japonicae Flos and Lonicerae Flos. This may be a prerequisite for the phenomenon of "heterologous effects".