| The traditional Chinese medicine component preparation refers to a new preparation that takes the traditional Chinese medicine component as the basic unit,takes into account the integrality of the multi-component and multi-target functions of the traditional Chinese medicine,and can clarify the material basis.The biopharmaceutical properties of traditional Chinese medicine components are an important basis for formulation optimization and dosage form design.The biopharmaceutical properties of components are affected not only by the type of components,but also by the structural characteristics of the components.It is not a simple superposition of the properties of the components in the component.Therefore,revealing the structural characteristics of the components is of great significance for scientifically elucidating the biopharmaceutical properties,and provides ideas for the design and formulation optimization of traditional Chinese medicine formulations.Safflower is a tubeless flower without ovary in Asteraceae Safflower Carthamus tinctorius L.It has good curative effect on promoting blood circulation and removing blood stasis.It is often used in modern clinical treatment of myocardial ischemia and coronary heart disease.At present,most of the safflower preparations on the market are mainly injections,and the materials before the preparation are mostly safflower extracts,so the material basis is not clear.Moreover,due to the roughness of the existing biopharmaceutical characterization methods,the formulation design is unreasonable,which brings about problems such as low bioavailability of safflower preparations,more adverse reactions and side effects,and limits the further development and development of safflower preparations.The purpose of this article is to identify the basic components of safflower medicinal substances and their component structures,and to characterize the overall biopharmaceutical properties of the components,to provide ideas for the design and quality control of safflower preparations.The main research contents include:1.Virtual screening of safflower anti-myocardial ischemic components: This part uses the virtual docking technology of molecular docking to perform virtual screening of anti-myocardial ischemic active components in safflower based on the screening of active ingredients.46 chemical components and 5 target proteins with high correlation with myocardial ischemia were obtained from TCMSP database and related literature reports.Using diltiazem,trimetazidine and verapamil as the positive control molecules,each component was docked with 5 target proteins.According to the docking score and the interaction between the molecule and the target,the active ingredients are screened to infer the active ingredients,thereby obtaining the potential anti-myocardial ischemic active components in safflower.In order to fully investigate the activity of the above-mentioned potential anti-myocardial ischemic active components,they were prepared and separated and purified by single factor experiment and orthogonal experiment.Finally,an acute ischemia model of SD rats was constructed to evaluate the efficacy of potential anti-myocardial ischemic components.The final screening showed that the 14 chemical components have the most potential anti-myocardial ischemic activity,and all of them are flavonoid components.In the preparation process of the flavonoid component,it was divided into two sub-components according to the difference in polarity,named safflower yellow pigment component and safflower flavonoid glycoside component.Both subcomponents have anti-myocardial ischemic activity.2.Structural analysis of anti-myocardial ischemia components of safflower: In this part,20 batches of safflower flavone extract were analyzed by HPLC.And by means of principal component analysis / clustering analysis and partial least squares method,the representative components of anti-myocardial ischemia in the flavonoid component were investigated.Then the component structure of the safflower flavonoids is identified,that is to analyze the proportional relationship between the representative ingredients.Then,the safflower with different component structure characteristics was tested in vitro to examine the relationship between the drug effect and the component structure.Finally,the best component structure is selected,which provides a reference for the optimization of the formulation of safflower preparations.3.Characterization of biopharmaceutical properties of safflower anti-myocardial ischemic component: Take the Safflower flavonoid glycoside components as an example,by investigating the equilibrium solubility and oil-water partition coefficient of the representative components of Safflower flavonoid glycoside components,the overall biopharmaceutical properties of Safflower flavonoid glycoside components were characterized.In this chapter,the angle cosine method and the mass weight coefficient are introduced.First,a similarity analysis is performed on the properties of the representative components,and then the overall biopharmaceutical properties of the components are fitted through the respective mass weight coefficients.Finally,according to the component biopharmaceutics classification system standard,the components of Safflower flavonoid glycoside components are divided into III components,that is,components with high solubility and low permeability.4.Summary: Based on the component structure theory,first of all,the components of safflower prevention and treatment of myocardial ischemia were identified.It is clear that its anti-myocardial ischemic component is a flavonoid component.Then the structural characteristics of the safflower flavonoids were analyzed.Finally,the overall properties of the components are characterized.It was determined that the Safflower flavonoid glycoside components were class III components,which provided data support for the design of the safflower formulation. |
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