使用定量高通量筛选平台鉴定甲状腺激素受体活性化合物。

Jaime Freitas, Nicole Miller, Brenda J Mengeling, Menghang Xia, Ruili Huang, Keith Houck, Ivonne M C M Rietjens, J David Furlow, Albertinka J Murk
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引用次数: 23

摘要

适应GH3的使用。trel - luc报告基因细胞系用于定量高通量筛选(qHTS)平台,我们将报告基因试验缩小到1536孔板格式。对美国药理学活性化合物库(LOPAC)和国家毒理学计划(NTP) 1408化合物收集的1280种化学物质进行了分析,以确定潜在的甲状腺激素受体(TR)激动剂和拮抗剂。在测试的2688种化合物中,有8种化合物被评为潜在的TR激动剂,当阳性hit截止值定义为疗效≥10%时,相对于最大三碘甲状腺原氨酸(T3)诱导,只有一种化合物达到≥20%的疗效。在激动剂试验中,一类常见的阳性化合物是类维甲酸,如全反式维甲酸,它可能通过类维甲酸x受体(与TR的异二聚体伴侣)起作用。鉴定了五种潜在的TR拮抗剂,包括抗过敏药物曲尼拉斯特和抗焦虑药物SB 205384,以及一些细胞毒性化合物,如5-氟尿嘧啶。这些无活性化合物在结构上都与T3无关,也没有在其他地方报道过是甲状腺激素干扰物,因此没有检测到假阴性。没有一种低效(>100µM)的TR激动剂类似于T3或T4,因此它们可能不会直接结合在受体的配体结合口袋中。对于TR激动剂,在qHTS中,100µM时≥20%疗效的命中截止值可以避免鉴定出低或无生理相关性的阳性。小型化的GH3。trel - luc法为内分泌干扰的体外测试提供了一个有希望的补充,鉴于化合物测试阳性的低百分比,其高通量性质是未来毒理学筛选的重要优势。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Identification of thyroid hormone receptor active compounds using a quantitative high-throughput screening platform.

Identification of thyroid hormone receptor active compounds using a quantitative high-throughput screening platform.

Identification of thyroid hormone receptor active compounds using a quantitative high-throughput screening platform.

Identification of thyroid hormone receptor active compounds using a quantitative high-throughput screening platform.

To adapt the use of GH3.TRE-Luc reporter gene cell line for a quantitative high-throughput screening (qHTS) platform, we miniaturized the reporter gene assay to a 1536-well plate format. 1280 chemicals from the Library of Pharmacologically Active Compounds (LOPAC) and the National Toxicology Program (NTP) 1408 compound collection were analyzed to identify potential thyroid hormone receptor (TR) agonists and antagonists. Of the 2688 compounds tested, eight scored as potential TR agonists when the positive hit cut-off was defined at ≥10% efficacy, relative to maximal triiodothyronine (T3) induction, and with only one of those compounds reaching ≥20% efficacy. One common class of compounds positive in the agonist assays were retinoids such as all-trans retinoic acid, which are likely acting via the retinoid-X receptor, the heterodimer partner with the TR. Five potential TR antagonists were identified, including the antiallergy drug tranilast and the anxiolytic drug SB 205384 but also some cytotoxic compounds like 5-fluorouracil. None of the inactive compounds were structurally related to T3, nor had been reported elsewhere to be thyroid hormone disruptors, so false negatives were not detected. None of the low potency (>100µM) TR agonists resembled T3 or T4, thus these may not bind directly in the ligand-binding pocket of the receptor. For TR agonists, in the qHTS, a hit cut-off of ≥20% efficacy at 100 µM may avoid identification of positives with low or no physiological relevance. The miniaturized GH3.TRE-Luc assay offers a promising addition to the in vitro test battery for endocrine disruption, and given the low percentage of compounds testing positive, its high-throughput nature is an important advantage for future toxicological screening.

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