Dipartimento Farmaco Chimico Tecnologico, Via Ospedale 72 - 09124 Cagliari, Italy.
Eur J Med Chem. 2010 Oct;45(10):4490-8. doi: 10.1016/j.ejmech.2010.07.009. Epub 2010 Jul 17.
Some differently substituted 3-aryl-4,5-dihydropyrazoles-1-carbothioamides have been synthesised with the aim to investigate their monoamine oxidase inhibitory activity. The chemical structures of the compounds have been characterized by means of their IR, (1)H NMR, (13)C NMR spectroscopic data and elemental analyses. All the active compounds showed a selective activity towards the B isoform of the enzyme, regardless of the substitution on the heterocyclic ring. The inhibition of the enzymatic activity was measured on human recombinant MAO isoforms, expressed in baculovirus infected BTI insect cells. Docking experiments were carried out with the aim to rationalize the mechanism of inhibition of the most active and selective compound.
一些不同取代的 3-芳基-4,5-二氢吡唑-1-碳硫酰胺已被合成，旨在研究它们的单胺氧化酶抑制活性。通过它们的红外光谱 (IR)、（1）H NMR、（13）C NMR 光谱数据和元素分析来表征化合物的化学结构。所有具有活性的化合物都表现出对酶的 B 同工型的选择性活性，而与杂环上的取代无关。在杆状病毒感染的 BTI 昆虫细胞中表达的人重组 MAO 同工型上测量酶活性的抑制。进行对接实验的目的是合理化最活跃和选择性化合物的抑制机制。
