Agatonovic-Kustrin Snezana, Morton David W, Worthington Matthew S, Glass Beverley D
The School of Pharmacy and Applied Science, La Trobe Institute of Molecular Sciences, La Trobe University, Bendigo, Victoria, Australia.
Curr Drug Discov Technol. 2011 Jun;8(2):146-54. doi: 10.2174/157016311795563884.
Nifedipine is a dihydropyridine calcium channel antagonist effective in the clinical management of cardiovascular disease. Due to nifedipine's poor water solubility and erratic bioavailability, complexation with selected cyclodextrins was studied in order to overcome these limitations. The aim was to develop a quantitative structure property relationship (QSPR) to identify cyclodextrin molecular properties important in complex formation and provide a predictive tool which would be valuable during preformulation studies. The QSPR developed indicates that the major driving forces for nifedipine complexation, in addition to cyclodextrin concentration, are hydrophobicity and Van der Waals interactions (3D solubility parameters, hydrophilic surface area and differential connectivity index).
硝苯地平是一种二氢吡啶类钙通道拮抗剂，在心血管疾病的临床治疗中有效。由于硝苯地平水溶性差且生物利用度不稳定，因此研究了其与特定环糊精的络合作用以克服这些局限性。目的是建立一种定量构效关系（QSPR），以确定在络合物形成中重要的环糊精分子性质，并提供一种在制剂前研究中具有重要价值的预测工具。所建立的QSPR表明，除环糊精浓度外，硝苯地平络合的主要驱动力是疏水性和范德华相互作用（3D溶解度参数、亲水性表面积和差异连接指数）。
