Besnard Jérémy, Jones Philip S, Hopkins Andrew L, Pannifer Andrew D
College of Life Sciences, University of Dundee, Dow Street, Dundee, DD1 5EH Scotland, UK.
College of Life Sciences, University of Dundee, Biocity Scotland, Bo'ness Road, Newhouse, ML1 5UH Scotland, UK.
Drug Discov Today. 2015 Feb;20(2):181-6. doi: 10.1016/j.drudis.2014.08.014. Epub 2014 Sep 6.
The Joint European Compound Library (JECL) is a new high-throughput screening collection aimed at driving precompetitive drug discovery and target validation. The JECL has been established with a core of over 321,000 compounds from the proprietary collections of seven pharmaceutical companies and will expand to around 500,000 compounds. Here, we analyse the physicochemical profile and chemical diversity of the core collection, showing that the collection is diverse and has a broad spectrum of predicted biological activity. We also describe a model for sharing compound information from multiple proprietary collections, enabling diversity and quality analysis without disclosing structures. The JECL is available for screening at no cost to European academic laboratories and SMEs through the IMI European Lead Factory (http://www.europeanleadfactory.eu/).
欧洲联合化合物库(JECL)是一个全新的高通量筛选化合物集合,旨在推动非竞争性药物研发和靶点验证。JECL已建立起一个核心库,包含来自七家制药公司自有化合物库的321,000多种化合物,并将扩展至约500,000种化合物。在此,我们分析了核心库的物理化学特性和化学多样性,结果表明该库具有多样性且预测的生物活性范围广泛。我们还描述了一种用于共享来自多个自有化合物库的化合物信息的模型,该模型能够在不披露结构的情况下进行多样性和质量分析。欧洲学术实验室和中小企业可通过创新药物计划(IMI)欧洲先导工厂(http://www.europeanleadfactory.eu/)免费使用JECL进行筛选。