Studies on the Activity of Selected Highly Lipophilic Compounds toward hGAT1 Inhibition. Part II.,ACS Chemical Neuroscience

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Studies on the Activity of Selected Highly Lipophilic Compounds toward hGAT1 Inhibition. Part II.
ACS Chemical Neuroscience ( IF 4.1 ) Pub Date : 2018-09-28 , DOI: 10.1021/acschemneuro.8b00282
Alicja Nowaczyk ₁ , Łukasz Fijałkowski ₁ , Magdalena Kowalska ₁ , Adrian Podkowa ₂ , Kinga Sałat ₃

Affiliation

In this paper, we describe the latest results involving molecular modeling and pharmacodynamic studies of the selected highly lipophilic compounds acting by human GABA transporter 1 (hGAT1) inhibition. The chemical interaction of 17 GABA analogues with a model of hGAT1 is described using the molecular docking method. The biological role of GAT1 is related to the regulation of GABA level in the central nervous system and GAT1 inhibition plays an important role in the control of seizure threshold. To confirm that GAT1 can be also a molecular target for drugs used to treat other neurological and psychiatric diseases (e.g., pain and anxiety), in the in vivo part of this study, potential antinociceptive and anxiolytic-like properties of tiagabine, a selective GAT1 inhibitor, are described.

中文翻译：

选定的高度亲脂性化合物对hGAT1抑制的活性研究。第二部分

在本文中，我们描述了涉及分子建模和药理学研究的最新结果，这些分子模型和药理学研究是通过人GABA转运蛋白1（hGAT1）抑制作用来选择的高度亲脂性化合物。使用分子对接方法描述了17种GABA类似物与hGAT1模型的化学相互作用。GAT1的生物学作用与中枢神经系统中GABA水平的调节有关，而GAT1的抑制在癫痫发作阈值的控制中起着重要的作用。为证实GAT1还可作为用于治疗其他神经系统和精神疾病（例如，疼痛和焦虑）的药物的分子靶标，在本研究的体内研究中，应使用选择性的GAT1替加比滨具有潜在的抗伤害感受和抗焦虑作用抑制剂，描述。

更新日期：2018-09-17

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