Estimation of aqueous solubility in drug design.
Estimation of aqueous solubility in drug design.
复制标题
药物设计中水溶性的估计。
DOI：
10.2174/1386207013331147
复制
发表时间：
2001
影响因子：
1.8
通讯作者：
J. Huuskonen
中科院分区：
文献类型：
--
作者：
J. Huuskonen
药物在水中的溶解度在从分子设计到药物制剂和生物制药的药物发现和开发过程中至关重要。估计有前途的先导化合物的水溶性和其他影响其药代动力学的性质的能力是合理药物设计的先决条件，尽管它比药物-受体相互作用的预测受到的关注要少得多。在这篇综述中，描述了估计有机化合物水溶性的方法，并仅限于可能在药物设计和开发的早期阶段使用的方法。
The solubility of drugs in water is of central importance in the process of drug discovery and development from molecular design to pharmaceutical formulation and biopharmacy. The ability to estimate the aqueous solubility and other properties of a promising lead compound affecting its pharmacokinetics is a prerequisite to rational drug design, although it has received much less attention than the prediction of drug-receptor interactions. In this review, methods for the estimation of aqueous solubility of organic compounds are described and limited to approaches, which might be used in the early stage of drug design and development.