Dept. of Anatomy, Animal Physiology and Biophysics, University of Bucharest, Faculty of Biology, 91-95 Spl. Independentei, Bucharest-076201, Romania.
Mini Rev Med Chem. 2012 Jun;12(6):467-76. doi: 10.2174/138955712800493834.
Antidepressants are psychiatric agents used for the treatment of different types of depression, being at present amongst the most commonly prescribed drugs, while their effectiveness and adverse effects are still the subject of many studies. To reduce the inefficiency of known antidepressants caused by their side-effects, many research efforts have recently focused on the development of improved strategies for new antidepressants drug design. For this reason it is necessary to apply very fast and precise techniques, such as QSAR (Quantitative Structure-Activity Relationships) and QRAR (Quantitative Retention-Activity Relationship), which are capable to analyze and predict the biological activity for these structures, taking in account the possible changes of the molecular structures and chromatographic parameters. We discuss the pharmaceutical descriptors (van der Waals, electrostatic, hydrophobicity, hydrogen donor/acceptor bond, Verloop's parameters, polar area) involved in QSAR and also chromatographic parameters involved in QRAR studies of antidepressants. Antidepressant activities of alkanol piperazine, acetamides, arylpiperazines, thienopyrimidinone derivatives (as preclinical antidepressants) and also the antidepressants already used in clinical practice are mentioned.
抗抑郁药是用于治疗不同类型抑郁症的精神药物，目前是最常开的药物之一，而它们的疗效和不良反应仍然是许多研究的主题。为了降低已知抗抑郁药因副作用而导致的低效性，最近许多研究工作都集中在开发新的抗抑郁药药物设计的改进策略上。因此，有必要应用非常快速和精确的技术，如 QSAR（定量构效关系）和 QRAR（定量保留活性关系），这些技术能够分析和预测这些结构的生物活性，考虑到分子结构和色谱参数的可能变化。我们讨论了 QSAR 中涉及的药物描述符（范德华力、静电、疏水性、氢键供体/受体键、Verloop 参数、极区）以及 QRAR 研究中涉及的色谱参数。提到了烷醇哌嗪、乙酰胺、芳基哌嗪、噻吩并嘧啶酮衍生物（作为临床前抗抑郁药）和已经在临床实践中使用的抗抑郁药的抗抑郁活性。
