ABSTRACT
Hyaluronic acid is widely used in biomaterials, cosmetics, clinical medicine and other fields due to its good biocompatibility, degradability, hydrophilicity, tumor targeting, viscosity and other characteristics. Pharmacodynamic activities of natural small molecular products which derived from traditional Chinese medicine (TCM) are significant, but their low solubility and poor targeting limit the clinical application. Based on supramolecular properties of hyaluronic acid, in this review, numerous studies were reviewed on the improvement of solubility, bioavailability, targeting and suitable dosage forms of small molecular compounds in TCM by domestic and foreign scholars using hyaluronic acid as carrier. It provides new ideas and inspirations for exploring the potential application value of small molecule compounds in TCM and even for the research and development of new drugs.
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.
ABSTRACT
Based on the universal regularity of the automatic action of supramolecular "imprinted template" previously proposed, this paper further analyzed and summarized the historical evolution and research status of the toxicity of Chinese materia medica, and deeply analyzed the production of toxicity of Chinese materia medica by using the theory of supramolecular chemistry. After entering the human body, the aggregation of supramolecular "imprinted template" of Chinese materia medica can interact with the similar "imprinted template" of the subject supramolecular of human in the human body. In other words, the group of toxic components of Chinese materia medica can be identified with the corresponding hole channels in the body, which is the supramolecular chemical mechanism of the toxicity of Chinese materia medica. The dose-effect problem and detoxification treatment of toxic Chinese materia medica is closely related to the equilibrium constant and concentration. When the concentration of the drug with the same (similar to) imprinted template is the same, the toxicity depends on the equilibrium constant of its interaction with the target. Based on this, research idea of equilibrium constant of toxicity of Chinese materia medica was proposed. The equilibrium constant of supramolecular imprinted behavior can explain the toxicity of Chinese materia medica. By studying the equilibrium constant, the supramolecular interaction of the toxic effect can be revealed and the supramolecular system of Chinese materia medica can be well studied.
ABSTRACT
The selection of appropriate extraction technology of Chinese materia medica (CMM) is the key phase in the preparation process of CMM preparation, and it is also the hot spot the industry personnel concerned about. In recent years, the extraction principle of CMM has been innovated, the technology has been improved and new ideas and methods have emerged. In the face of different kinds of extraction methods of CMM, how to select or innovate the appropriate extraction method to extract the effective components of CMM is a common difficult problem in accordance with the characteristics of multi-component groups of CMM. Therefore, it is urgent to sort out the extant situation of CMM, discuss the characteristics of interaction between multi-components of CMM and propose a set of optimization extraction methods adapted to multi-component objectives. Based on the above discussion, this paper firstly summarizes the present situation of CMM extraction, and introduces supramolecular chemistry, combined with supramolecular imprinting templates theory to put forward the theory, the method and the technology of qualitative and quantitative extraction of Chinese medicines which is suitable for the characteristics of active ingredients of Chinese medicines from the perspective of molecular social interaction. The aim is to promote the development of the extraction technology of CMM, make progress in the production technology of CMM preparations, and accelerate the process of modernization of CMM pharmaceuticals.
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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.
ABSTRACT
Based on the special influence of supramolecular chemistry on the four-character theory of Chinese materia medica (CMM) proposed in the early stage of this laboratory, this paper further analyzes the historical evolution and research situation of CMM lifting and lowering, and uses the supramolecular “imprint template” theory to analyze the “lifting and sinking” of CMM, and proposes evaluation method of CMM floating and sinking. The human body and CMM are “imprinted templates” of the aggregation of imprinting function, under the effect of the “imprinting template”, different types of Chinese native medicine ingredient targets with human targets through “lock-and-key” relationship in non covalent bond, the role of CMM object supramolecular by key can correct human body supramolecular in the processes of self-recognition, self-organization, self-assembly, self-replication when the fever, disorder of qi occurs. The human body has the ability to resist the invasion of external diseases and pathogens, which depends on the normal “rise and fall” of human qi; CMM has the property of floating and sinking, and can eliminate diseases. It depends on its adjustment of qi disorder of human body, or compliance with qi and removing pathogens to enhance the ability of immunity. Based on this, on the basis of analyzing the pharmacological effects of the rise and fall of CMM, the material basis of the lifting and lowering of CMM was explored, and the evaluation method of the lifting and lowering of traditional Chinese medicine was established. The supramolecular “imprinting template” theory is used to analyze the lifting and lowering of CMM, revealing its scientific connotation and promoting the continuous innovation of CMM pharmacology theory.
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The five-flavor theory of Chinese materia medica (CMM) is the core content of traditional Chinese medicine (TCM), which characterizes the characteristic property of CMM components and is used for clinical guidance. However, it is still unclear how the five flavors are used to characterize the many groups of ingredients, the criteria for dividing the five flavors of herbs, and the scientific issues of the five flavors and the five internal organs. This paper analyzes and summarizes the historical evolution and research status of five-flavor theory of CMM. The supramolecular “imprint template” theory is used to analyze the five flavors of CMM: human and CMM are biological supramolecular bodies, and traditional Chinese medicine is used as a natural supramolecular “imprint template” aggregation. After the human body, it is inevitable to find self-recognition, self-organization, self-assembly and self-replication of the supramolecular body of the human organ that coincides with its own “imprint template”, so as to produce specific effects, and macroscopically show the five flavors of CMM with meridian tropism in five internal organs. Therefore, through the qualitative and quantitative study of the characteristics and action of the supramolecular “imprinting template” of various components of five flavors of CMM in vivo and in vitro and its network pharmacology, “Chinese herbal medicine group-taste bud supramolecular pore structure-meridian visceral cavity” correlation research method was established. From the macroscopic and microscopic aspects, the five flavors of CMM are studied. The combination of supramolecular chemistry theory and traditional Chinese medicine will certainly promote the development of TCM and realize the modernization of TCM.
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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.
ABSTRACT
Yangjing Zhongyu Tang, from FU Qing-zhu Nvke, is a famous classical formula of clinical value for treating blood deficiency syndrome of female infertility in the Qing dynasty. The prescription seems plain, but it is rigorous and effective with high research value. In this paper, the ancient books and modern documents of Yangjing Zhongyu Tang were analyzed from the aspects of traceability of Chinese materia medica in the formula, pharmacological research, clinical research, etc. It could be concluded that the pharmacological studies of this formula were mostly to investigate the mechanism and efficacy of its treatment for infertility, but there was a lack of comprehensive interpretation of the structure, function and principle of pharmacodynamic substance in this formula. In this paper, combined with the contents of supramolecular imprinting template and network pharmacology, the new direction of pharmacological research of Chinese medicine compound was put forward. Quality control of Yangjing Zhongyu Tang mostly based on small molecule compounds, so it was suggested to break the inherent thinking, and increase the detection of macromolecule compounds and supramolecular of Chinese materia medica. The druggability of this formula involved in the preliminary study of decoctions, plasters and granules. Considering the quality stability of Chinese materia medica in the formula and the scientificity of druggability of this formula, the compatibility principle of traditional Chinese medicine (TCM) and modern supramolecular chemistry theory could be combined to study the change law of druggability of TCM before and after compatibility, so as to provide new reference materials for the follow-up clinical application and development of Yangjing Zhongyu Tang.
ABSTRACT
Abstract The synthesis of new grid-type complexes of Co2+ and Fe2+ based on a highly soluble double hydrazone framework is reported. The data obtained from 1H NMR, FT-IR, and elemental analysis indicate that the complexes adopted a grid-like structure. Electronic properties of the metallogrids were analyzed by UV-Vis spectroscopy in chloroform, methanol, and dichloromethane. Additionally, cyclic voltammetry and square wave voltammetry were carried out in N,N-dimethylformamide (DMF). These compounds exhibited two oxidation processes corresponding to the organic ligand and several reductions events, comprising the ligand and metal centers. Furthermore, the interplay between the metal nature and the ligand framework was also studied in detail. These results represent an advancement in the chemistry of metallogrids not only because of the few reports concerning to the electrochemical properties found in the literature, but also for the design of novel hydrazone ligands of high solubility and easy preparation.
Resumen Se reporta la síntesis de nuevos complejos metálicos de Co2+ y Fe2+ tipo rejilla que contienen como ligando orgánico una doble hidrazona altamente soluble en solventes orgánicos. Los datos obtenidos de resonancia magnética nuclear (RMN 1H), espectroscopía infrarroja con transformada de Fourier (FT-IR) y análisis elemental indican que los complejos adoptaron una estructura de tipo rejilla. Las propiedades electrónicas de las metalo-rejillas fueron analizadas a través de espectroscopía UV-Vis en cloroformo, metanol y diclorometano. Adicionalmente, se realizaron medidas de voltamperometría cíclica y voltametría de onda cuadrada en DMF. Los complejos exhibieron dos procesos de oxidación atribuidos al ligando orgánico y a varios eventos reductivos que comprometían al ligando y a los centros metálicos, por tanto, la interacción entre la naturaleza del ion metálico y la estructura del ligando fue analizada en detalle. Estos resultados representan un avance en la química de metalo-rejillas no solo por los escasos reportes de propiedades electroquímicas encontrados en la literatura, sino también por el diseño de nuevos ligandos hidrazónicos de alta solubilidad y fácil preparación.
Resumo Neste trabalho relata-se a síntese de novos complexos de Co2+ e Fe2+ tipo grelha baseados na estrutura de uma hidrazona dupla altamente solúvel em solventes orgânicos. Os dados obtidos de ressonância magnética nuclear (1H RMN), espectroscopia de infravermelho com transformada de Fourier (FT-IR), e análise elementar indicam que os complexos adotaram a estrutura tipo grelha. As propriedades eletrônicas das grelhas metálicas foram analisadas por espectroscopia UV-Vis em clorofórmio, metanol e diclorometano. Adicionalmente, foram realizadas medidas de voltametria cíclica e voltametria de onda quadrada em DMF. Os compostos estudados exibiram dois processos de oxidação correspondentes ao ligando orgânico, e a vários eventos redutivos que envolvem o ligando orgânico e os centros metálicos. Além disso, a interação entre a natureza do metal e a estrutura do ligando foi estudada em detalhe. Estes resultados representam um avanço na química de metalo-grelhas não somente pelos escassos relatos de propriedades eletroquímicas encontrados na literatura, mas também pelo design de novos ligandos hidrazônicos de alta solubilidade e fácil preparação.
ABSTRACT
Based on the previous theory of supramolecular “imprinting template”, the historical evolution and research status together with the generation of four properties of Chinese materia medica (CMM) were analyzed and summarized by using supramolecular chemistry theory: Human and Chinese medicine are giant complex supramolecular systems with the same “imprinting template”. Different types (heat and cold) of active ingredients (guest molecules) of CMM and humans (host molecules) in different states bonded by non-covalent, releasing (or absorbing) energy, which can correct the self-recognition, self-organization, self-assembly, and self-replication of the body’s basic supramolecular attacked by cold or heat, in order to make the body back to normal, in short the macroscopic manifestation was four properties of CMM. Thus, two methods were proposed for four properties of CMM including in vivo and in vitro ones, the former one includes physical internal energy method and host-guest separation and supramolecular polymer preparation; In vivo method includes biological thermal studies, animal behavioral observations, and body surface temperature observations. The supramolecular “imprinting template” theory is a key for studying four properties of CMM, the combination between supramolecular chemistry theory and traditional Chinese medicine theory will certainly become a powerful method to promote the modernization of CMM.