基于超分子“印迹模板”理论的甘草增助溶特征研究(1)
[摘要]探讨不同“印迹模板”中药成分群对甘草超分子增助溶能力的影响，为解释中药成分群间的增助溶现象奠定理论基础。基于超分子“印迹模板”自主作用规律，用分子连接性指数(MCI)、油水分配系数(logP)表征中药成分“印迹模板”的亲水亲油能力，以浸膏得率表征甘草对单味中药或复方的增助溶作用，经MCI，logP，浸膏得率分析得出甘草对不同分子社会增助溶能力的影响。结果表明，单味中药材加甘草前后的MCI与logP的相关系数分别为0942，0916；加甘草后，大部分中药的浸膏得率增大，且单味中药材加甘草前后浸膏得率的变化值与logP的变化值、MCI的变化值的相关系数分别为0837，0405；8个复方的MCI与logP相关系数为0937，且甘草对除防己黄芪汤外的其他7个复方中药均具有增助溶作用。这说明甘草的增助溶作用主要是通过“印迹模板”自主作用形成超分子而改变被增助溶成分的亲水亲油能力；中药成分的MCI与logP有高度的正相关性，可作为表征中药成分“印迹模板”特征的重要参数，用超分子“印迹模板”理论来探究中药增助溶作用切实可行，这将为单味药剂型改革奠定基础。
[关键词]甘草；中药复方；油水分配系数；分子连接性指数；超分子；印迹模板；胶束；单味药剂型改革
[Abstract]To investigate the effect of the ingredient group of traditional Chinese medicine (TCM) with different "imprinted template" on the supramolecular solubilization ability of licorice， in order to lay a theoretical foundation for explaining the solubilization phenomenon of the components of TCM. Based on the independent supramolecular "imprinted template" rules， molecular connectivity index (MCI) and the correlation of noctanolwater partition coefficient (logP) were used to indicate hydrophilic lipophilic capacity of TCM， and the extractum rate was used to indicate the solubilization effect of licoriceon single TCM herbs or compounds. The solubilization ability of licorice was evaluated based on MCI， logP and the extractum rate. According to the results， the correlation coefficient between MCI and logP for single herbs was 0942， and that for single herb adding licorice was 0916. The extractum rate of most herbs was increased after adding licorice. The correlation coefficient among the extractum rate as well as MCI and logP change values before and after adding licorice were respectively 0837， 0405. The correlation coefficient between MCI and logP for eight compounds was 0937. Meanwhile， licorice had a solubilization effect on the remaining 7 compound except for Huangqi decoction. Therefore， licorice shows the solubilization effect through the independent supramolecular "imprinted template"， so as to improve the hydrophilic lipophilic ability. There was a high positive correlation between the MCI and logP in ingredients for TCM， which could be used as important parameters to indicate the "imprinted template" feature for components of TCM. The study on the solubilizing effect of TCM with the supramolecular "imprinted template" theory was feasible， and will lay a foundation for the reform of singleherb dosage form.
[Key words]licorice； traditional Chinese medicine compound； noctanolwater partition coeffieient； molecular connectivity index； supramolecular； imprinted template； micelle； reform of single dosage form (陶叶琴 唐闻汉 刘金玲 邓凯文 贺福元 周逸群)
[关键词]甘草；中药复方；油水分配系数；分子连接性指数；超分子；印迹模板；胶束；单味药剂型改革
[Abstract]To investigate the effect of the ingredient group of traditional Chinese medicine (TCM) with different "imprinted template" on the supramolecular solubilization ability of licorice， in order to lay a theoretical foundation for explaining the solubilization phenomenon of the components of TCM. Based on the independent supramolecular "imprinted template" rules， molecular connectivity index (MCI) and the correlation of noctanolwater partition coefficient (logP) were used to indicate hydrophilic lipophilic capacity of TCM， and the extractum rate was used to indicate the solubilization effect of licoriceon single TCM herbs or compounds. The solubilization ability of licorice was evaluated based on MCI， logP and the extractum rate. According to the results， the correlation coefficient between MCI and logP for single herbs was 0942， and that for single herb adding licorice was 0916. The extractum rate of most herbs was increased after adding licorice. The correlation coefficient among the extractum rate as well as MCI and logP change values before and after adding licorice were respectively 0837， 0405. The correlation coefficient between MCI and logP for eight compounds was 0937. Meanwhile， licorice had a solubilization effect on the remaining 7 compound except for Huangqi decoction. Therefore， licorice shows the solubilization effect through the independent supramolecular "imprinted template"， so as to improve the hydrophilic lipophilic ability. There was a high positive correlation between the MCI and logP in ingredients for TCM， which could be used as important parameters to indicate the "imprinted template" feature for components of TCM. The study on the solubilizing effect of TCM with the supramolecular "imprinted template" theory was feasible， and will lay a foundation for the reform of singleherb dosage form.
[Key words]licorice； traditional Chinese medicine compound； noctanolwater partition coeffieient； molecular connectivity index； supramolecular； imprinted template； micelle； reform of single dosage form (陶叶琴 唐闻汉 刘金玲 邓凯文 贺福元 周逸群)