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目的:研究丹参二萜醌组分内各代表性成分的平衡溶解度和油水分配系数的相似性,从而为丹参二萜醌组分整体水溶性和脂溶性的表征奠定基础。方法:以丹参二萜醌组分为模型药物,借助指标成分法测定组分在不同缓冲液中的平衡溶解度和油水分配系数,基于向量夹角余弦(cosine)和格鲁布斯(Grubbs)法对各成分的平衡溶解度和油水分配系数进行相似性分析,评价其相似程度。结果:丹参二萜醌组分内代表性成分二氢丹参酮Ⅰ、丹参酮Ⅰ、隐丹参酮、丹参酮ⅡA在不同pH缓冲液中的平衡溶解度和油水分配系数均相似,这种相似不仅表现在变化趋势上,还表现在数值上。结论:相似性评价反映了组分内代表性成分性质值间相互偏离和分散的程度,适用于组分的研究;相似性评价能够增加组分性质评价和表征的科学性和合理性,同时能优化组分的结构。
OBJECTIVE: To study the similarity of the equilibrium solubility and the oil-water partition coefficient of the representative components of the diterpene quinone component of Salvia miltiorrhiza, and to lay the foundation for the overall water-solubility and fat-solubility characterization of the diterpene quinone component of Salvia miltiorrhiza. Methods: Taking the Salviae miltiorrhizae diterpene quinone as a model drug, the equilibrium solubility and the oil-water partition coefficient of the components in different buffers were determined by means of index components method. Based on cosine and Grubbs method The similarity of each component’s equilibrium solubility and oil-water partition coefficient was analyzed to evaluate its similarity. Results: The equilibrium solubility and oil-water partition coefficients of DHT, Ⅰ, tanshinone and tanshinone ⅡA in different pH buffers were similar, which not only showed the trend of change , But also in the numerical. Conclusion: The similarity evaluation reflects the degree of deviation and dispersion of the representative components in the components, which is suitable for the study of components. The similarity evaluation can increase the scientificity and rationality of the evaluation and characterization of components, Optimize the structure of the components.