Mohamed Abdel Maaboud Ismail, Mohamed Fardous Abdel-Fattah, Ahmed Sameh Abdel-Raouf, Aboraia Ahmed Safwat, Mohamed Yahya Abduh Salim
Department of Pharmaceutical Analytical Chemistry, Faculty of Pharmacy, Assiut University, Assiut, 71526, Egypt.
Biomed Chromatogr. 2014 Aug;28(8):1156-62. doi: 10.1002/bmc.3141. Epub 2014 Feb 13.
A quantitative structure-retention relationship study of some oral hypoglycemic drugs was carried out using a salting-out thin-layer chromatographic technique. Aqueous solution of ammonium sulfate and acetonitrile was used as a mobile phase. It was established that the applied mobile phase has different effects on retention of the studied oral antidiabetic drugs. The factors that affect the salting-out process were determined. In this study a good correlation between the structures of the investigated drugs with the retention data and molecular descriptors was established throughout computational analysis and using molecular operating environment software, focusing on octanol/water partition coefficient, molar refractivity, total hydrophobic surface area, hydrophobic volume, Van der Waals energy and solvation energy. Quantitative structure-retention relationship modeling for the separation of the investigated drugs was carried out, validated and evaluated.
采用盐析薄层色谱技术对一些口服降糖药进行了定量构效关系研究。以硫酸铵水溶液和乙腈作为流动相。结果表明,所应用的流动相对所研究的口服抗糖尿病药物的保留有不同影响。确定了影响盐析过程的因素。在本研究中,通过计算分析并使用分子操作环境软件,重点关注辛醇/水分配系数、摩尔折射率、总疏水表面积、疏水体积、范德华能量和溶剂化能,在所研究药物的结构与保留数据和分子描述符之间建立了良好的相关性。对所研究药物的分离进行了定量构效关系建模、验证和评估。