作为 MAO-B 抑制剂的烯丙基吡唑啉的合成和分子建模研究。
Synthesis and molecular modelling studies of prenylated pyrazolines as MAO-B inhibitors.
机构信息
Dipartimento di Chimica e Tecnologie del Farmaco, Università di Roma La Sapienza P.le Aldo Moro, 5, 00185 Rome, Italy.
出版信息
Bioorg Med Chem Lett. 2010 Nov 15;20(22):6479-82. doi: 10.1016/j.bmcl.2010.09.061. Epub 2010 Sep 17.
PMID:20934874
Abstract
A series of N-substituted-3-[(2'-hydroxy-4'-prenyloxy)-phenyl]-5-phenyl-4,5-dihydro-(1H)-pyrazolines were synthesized and tested on human monoamine oxidase-A and -B isoforms. Structure-activity relationships and molecular modelling showed that some substitutions, such as benzyloxy or chlorine atom, improve the best interaction with active site of hMAO-B.
摘要
合成了一系列 N-取代的 3-[(2'-羟基-4'-戊烯氧基)-苯基]-5-苯基-4,5-二氢-(1H)-吡唑啉，并对其进行了人单胺氧化酶-A 和 -B 同工型的测试。结构-活性关系和分子模拟表明，一些取代基，如苄氧基或氯原子，可以改善与 hMAO-B 活性位点的最佳相互作用。
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