药物分子的相对疏水性及色谱保留行为研究  

Relative Hydrophobicity of Drug Molecules and Retention Behavior in Hydrophobic Interaction Chromatography

作　　者：杨桐 彭荣 黄新宇 孙延松 陈晓农 YANG Tong;PENG Rong;HUANG Xinyu;SUN Yansong;CHEN Xiaonong(Beijing Laboratory of Biomedical Materials,College of Materials Science and Engineering, Beijing University of Chemical Technology,Beijing 100029,China)

机构地区：[1]北京化工大学材料科学与工程学院,生物医用材料北京实验室,北京100029

出　　处：《高等学校化学学报》2018年第11期2405-2410,共6页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金(批准号:20874004)资助.

摘　　要：选取多种植物源药物作为模型药物,基于不同药物的分子结构,通过基团贡献法计算其溶度参数δ_t;同时,利用高效液相色谱(HPLC)测定模型药物的相对保留时间tRR,将δt与tRR进行关联,建立了经验模型tRR=-0. 032+7. 27144e-δt/3. 53874(相关系数R=0. 97).根据植物提取液中不同成分的分子结构计算其溶度参数,基于该经验模型可推算其相对保留时间,进而快速判断目标药物在疏水色谱分离过程中适宜的淋洗时间,确定接收淋洗流动相的时间段.Botanical medicine plays a significant role in research and production of new drugs,and attracts special attention due to its unique merits,such as rich source,less side effect.There exists certain difficulties to get target products from plant mixture in isolation and purification process.Reverse phase chromatography based on the difference in the polarity and hydrophobicity of drugs is one of the most important methods for purify active ingredients in plants.It is technical significant to establish a simple method to determine the hydrophobicity(retention time)of a target drug compound so as to design the stationary phase materials in chromatographic separation and collect mobile phase solution at an appropriate eluting period.In this study,a variety of botanical medicines were selected as model compounds,their solubility parametersδt were calculated by the group contribution method based on the molecular structure of the model compounds and relative retention times t RR were determined by HPLC.The mathematical model correlating the solubility parameter and the relative retention time is established,t RR=-0.032+7.27144\%e\%-δt/3.53874(R=0.97).By the method we established,the relative retention time of a drug compound can be obtained by calculating the solubility parameter,which can be used to predict the hydrophobicity and determine the appropriate elution time of such drug compound from hydrophobic membrane chromatography.

关 键 词：植物源药物 溶度参数 相对保留时间 亲疏水性 

分 类 号：O657[理学—分析化学]