Boehringer Ingelheim Pharma GmbH & Co KG, Birkendorfer Str. 65, Biberach 88400, Germany.
Boehringer Ingelheim Pharma GmbH & Co KG, Birkendorfer Str. 65, Biberach 88400, Germany.
Drug Discov Today. 2019 Feb;24(2):526-532. doi: 10.1016/j.drudis.2018.10.009. Epub 2018 Oct 22.
A fierce dispute has arisen between the supporters of phenotypic and target-focused screening regarding which path grants the higher probability of successful drug development. A chance to reconcile these two approaches lies in successful target deconvolution (TD) after phenotypic screens. But, despite the panoply of available in vitro TD methods, the task of matching a phenotypically active compound with a biomolecular target remains challenging. Consequently, this review details the latest developments of in silico techniques that expedite TD. Ultimately, the deconvoluted target allows us to reap the benefits of the phenotypic and target-focused approaches.
在表型和靶向为重点的筛选的支持者之间,出现了激烈的争论,争论的焦点是哪种方法能更有把握成功开发药物。要想调和这两种方法,就需要在表型筛选之后成功进行靶标解析(TD)。但是,尽管有各种各样的体外 TD 方法可用,将表型活性化合物与生物分子靶标匹配的任务仍然具有挑战性。因此,本综述详细介绍了加速 TD 的最新计算技术的发展。最终,解析出的靶标使我们能够从表型和靶向为重点的方法中受益。