Department of Anesthesiology, Washington University School of Medicine, St. Louis, Missouri 63110, USA.
J Pharmacol Exp Ther. 2010 May;333(2):404-13. doi: 10.1124/jpet.109.164079. Epub 2010 Feb 2.
In the absence of GABA, neuroactive steroids that enhance GABA-mediated currents modulate binding of [35S]t-butylbicyclophosphorothionate in a biphasic manner, with enhancement of binding at low concentrations (site NS1) and inhibition at higher concentrations (site NS2). In the current study, compound (3alpha,5beta,17beta)-3-hydroxy-18-norandrostane-17-carbonitrile (3alpha5beta-18-norACN), an 18-norsteroid, is shown to be a full agonist at site NS1 and a weak partial agonist at site NS2 in both rat brain membranes and heterologously expressed GABAA receptors. 3alpha5beta-18-norACN also inhibits the action of a full neurosteroid agonist, (3alpha,5alpha,17beta)-3-hydroxy-17-carbonitrile (3alpha5alphaACN), at site NS2. Structure-activity studies demonstrate that absence of the C18 methyl group and the 5beta-reduced configuration both contribute to the weak agonist effect at the NS2 site. Electrophysiological studies using heterologously expressed GABAA receptors show that 3alpha5beta-18-norACN potently and efficaciously potentiates the GABA currents elicited by low concentrations of GABA but that it has low efficacy as a direct activator of GABAA receptors. 3alpha5beta-18-norACN also inhibits direct activation of GABAA receptors by 3alpha5alphaACN. 3alpha5beta-18-norACN also produces loss of righting reflex in tadpoles and mice, indicating that action at NS1 is sufficient to mediate the sedative effects of neurosteroids. These data provide insight into the pharmacophore required for neurosteroid efficacy at the NS2 site and may prove useful in the development of selective agonists and antagonists for neurosteroid sites on the GABAA receptor.
在 GABA 缺乏的情况下,增强 GABA 介导电流的神经活性甾体以双相方式调节[35S]叔丁基双环膦酸酯的结合,低浓度时增强结合(NS1 位),高浓度时抑制结合(NS2 位)。在本研究中,化合物(3α,5β,17β)-3-羟基-18-去甲雄甾烷-17-腈(3α5β-18-去甲 ACN)被证明是大鼠脑膜和异源表达的 GABAA 受体中 NS1 位的完全激动剂和 NS2 位的弱部分激动剂。3α5β-18-去甲 ACN 还抑制了全神经甾体激动剂(3α,5α,17β)-3-羟基-17-腈(3α5αACN)在 NS2 位的作用。构效关系研究表明,C18 甲基和 5β-还原构型的缺失都有助于 NS2 位的弱激动剂作用。使用异源表达的 GABAA 受体的电生理研究表明,3α5β-18-去甲 ACN 强烈有效地增强了由低浓度 GABA 引起的 GABA 电流,但作为 GABAA 受体的直接激活剂的效能较低。3α5β-18-去甲 ACN 还抑制了 3α5αACN 对 GABAA 受体的直接激活。3α5β-18-去甲 ACN 还导致蝌蚪和小鼠失去翻正反射,表明 NS1 的作用足以介导神经甾体的镇静作用。这些数据提供了对神经甾体在 NS2 位的药效所需的药效基团的深入了解,并可能有助于开发 GABAA 受体上神经甾体部位的选择性激动剂和拮抗剂。