| Objective:Yangjing Zhongyu Decoction is a classic prescription of clinical value for the treatment of blood deficiency syndrome of infertility in the Qing Dynasty.The prescription seems plain,but it is rigorous and effective,and has high research value.In this article,Yangjing Zhongyu Decoction as the research object,the aim is to establish a method for the determination of multi-component proteins of small molecular compounds and macromolecular total polysaccharides,a comprehensive quality standard for multi-component proteins was established by combining principal component analysis;Taking Monoside,Loganin,Paeoniflorin,Ferulic acid,Mulberry glycoside,total polysaccharide and protein as indexes,the extraction process of Yangjing Zhongyu Decoction was optimized according to the traditional decoction technology;The quality stability and transferability of Yangjing Zhongyu Decoction were discussed;The structure of all components of Yangjing Zhongyu Decoction was computed by MCI,which is the molecular connectivity index.It will be helpful to establish the relationship between components and physicochemical properties as well as curative effect,and to further promote the quality stability and transmission of traditional Chinese medicine.Methods:1.The small and medium molecular compounds in Yangjing Zhongyu Decoction were determined by high performance liquid chromatography(HPLC).Three calibration methods,external standard method and regression equation method were established to determine the contents of the five small molecular components.Meanwhile,the fingerprints were analyzed by total component analysis and similarity evaluation.The content of macromolecular total polysaccharides was determined by sugar content method;the content of macromolecular proteins was determined by Coomassie Brilliant Blue method.The methods are validated.2.The contents of five small molecule components,total polysaccharides and protein in Yangjing Zhongyu Decoction were determined by high performance liquid chromatography(HPLC),total polysaccharides by sugar content method,and protein content by Coomassie Brilliant Blue method.On the basis of traditional decoction technology,the extraction technology of Yangjing Zhongyu Decoction was optimized by L9(3~4)orthogonal test,and the validation test was carried out.3.Using the principle of total statistical moment,Hardy-Weinberg equilibrium principle and the calculation method of primary steady-state feeding quantity,the total statistical moment parameters,information quantity,information entropy and primary steady-state feeding quantity of Yangjing Zhongyu Decoction Compound and single-flavor decoction pieces were calculated.4.By searching TCMSP sub-database in LSP database,the information of ingredients in four kinds of single herbs of Yangjing Zhongyu Decoction was summarized.According to the experimental principle and formula of molecular connectivity index MCI,the molecular structure is drawn in OSRA system,the MOL format of each molecule is obtained,the adjacent matrix is calculated,and then the MCI software developed by the experimental team is used to run the program.Results:1.The method of HPLC is good,and the similarity of fingerprint is more than 0.999 0.Among them,there is no significant difference between the one-way multi-evaluation correction method and the external standard method and regression equation method for the content of five components in single pharmacopoeia,including Monoside,Loganin,Paeoniflorin,Ferulic acid and Mulberry glycoside.The method for the determination of macromolecule total polysaccharide and protein content is good.2.The optimum extraction process was 8 times of water,soaking for 30 minutes and decocting for 2 hours,which proved that the experiment was stable.3.Different Chinese medicines and their compositions have different kinds,contents and constituent ratios,which are mainly reflected in the differences of peak number,total zero-order moment,first-order moment,second-order moment,information entropy and information quantity.The uniformity and stability of Chinese medicines and their compositions can be achieved by steady-state one-time dosage.The total statistical first-order moment and information entropy R of fingerprints can be obtained by RSD appearance of the same Chinese medicines or their compositions.SD is small,the number of peaks,the total zero moment,the total second moment and the RSD value of information are large.According to the significance of each parameter,it can be seen that the variety and content of components in Chinese herbal decoction pieces and compound prescriptions change little,and the primary steady-state dosage of compound prescriptions is often larger than the primary steady-state dosage of individual herbal decoctions,which reveals that there may be complexation and adsorption between components in the process of compatibility of Chinese herbal compound prescriptions.The quality of the compound is more difficult to control than that of the single herb due to the precipitation and other reactions.4.According to the principle of molecular topological index,the molecular connectivity index of 0-8 order of each chemical structure was calculated,and the chemical structure was digitized.Conclusions:1.The established HPLC method,sugar content method and Coomassie Brilliant Blue method can be used conveniently,quickly and accurately for the quality control of Yangjing Zhongyu Decoction and the follow-up study of classical prescriptions.The selected indicators of principal component analysis simplify the indicators for the determination of classical prescriptions,and the established quality evaluation criteria of traditional Chinese medicine can be better applied to the study of classical prescriptions.2.The established HPLC method,sugar content method and Coomassie Brilliant Blue method can be used conveniently,quickly and accurately for quality control and extraction process selection of Yangjing Zhongyu Decoction.The optimized extraction process based on traditional extraction process is stable and reliable,which can provide reference for further development of the recipe.3.Qualitative and quantitative analysis of fingerprint can be carried out by total statistical moment,information quantity and primary steady-state feeding quantity to identify the quality attributes of medicinal materials and provide reference for large-scale industrial production.4.Each chemical component has its fixed molecular connectivity index.Whether the molecular connectivity index is the same or similar reflects to some extent whether the physical and chemical properties of substances are the same.Combining the molecular connectivity index in the molecular topological index,a quality marker of traditional Chinese medicine,with the statistical moments of total amount,the amount of information and the amount of primary steady-state feeding,the relationship between components,physicochemical properties and therapeutic effects can be established,and the quality stability and transferability of traditional Chinese medicine can be further promoted. |
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