Smith Emery, Chase Peter, Niswender Colleen M, Utley Thomas J, Sheffler Douglas J, Noetzel Meredith J, Lamsal Atin, Wood Michael R, Conn P Jeffrey, Lindsley Craig W, Madoux Franck, Acosta Mary, Scampavia Louis, Spicer Timothy, Hodder Peter
The Scripps Research Institute Molecular Screening Center, Scripps Florida, Jupiter, FL, USA.
Department of Pharmacology, Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt Medical Center, Nashville, TN, USA.
J Biomol Screen. 2015 Aug;20(7):858-68. doi: 10.1177/1087057115581770. Epub 2015 Apr 15.
Muscarinic acetylcholine receptors (mAChRs) have long been viewed as viable targets for novel therapeutic agents for the treatment of Alzheimer's disease and other disorders involving impaired cognitive function. In an attempt to identify orthosteric and allosteric modulators of the muscarinic acetylcholine receptor M(4) (M(4)), we developed a homogenous, multiparametric, 1536-well assay to measure M(4) receptor agonism, positive allosteric modulation (PAM), and antagonism in a single well. This assay yielded a Z' of 0.85 ± 0.05 in the agonist, 0.72 ± 0.07 in PAM, and 0.80 ± 0.06 in the antagonist mode. Parallel screening of the M(1) and M(5) subtypes using the same multiparametric assay format revealed chemotypes that demonstrate selectivity and/or promiscuity between assays and modalities. This identified 503 M(4) selective primary agonists, 1450 PAMs, and 2389 antagonist hits. Concentration-response analysis identified 25 selective agonists, 4 PAMs, and 41 antagonists. This demonstrates the advantages of this approach to rapidly identify selective receptor modulators while efficiently removing assay artifacts and undesirable compounds.
毒蕈碱型乙酰胆碱受体(mAChRs)长期以来一直被视为治疗阿尔茨海默病和其他涉及认知功能受损疾病的新型治疗药物的可行靶点。为了鉴定毒蕈碱型乙酰胆碱受体M(4)(M(4))的正构和变构调节剂,我们开发了一种均质、多参数的1536孔检测方法,可在单个孔中测量M(4)受体激动作用、正变构调节(PAM)和拮抗作用。该检测方法在激动剂模式下的Z'值为0.85±0.05,在PAM模式下为0.72±0.07,在拮抗剂模式下为0.80±0.06。使用相同的多参数检测形式对M(1)和M(5)亚型进行平行筛选,发现了在检测方法和作用方式之间表现出选择性和/或混杂性的化学类型。这确定了503种M(4)选择性初级激动剂、1450种PAM和2389种拮抗剂命中物。浓度-反应分析确定了25种选择性激动剂、4种PAM和41种拮抗剂。这证明了这种方法在快速鉴定选择性受体调节剂的同时有效去除检测假象和不良化合物方面的优势。