Novartis Institutes for BioMedical Research, Center for Proteomic Chemistry, Forum 1, Novartis Campus, CH-4056 Basel, Switzerland.
Future Med Chem. 2011 Apr;3(6):751-66. doi: 10.4155/fmc.11.15.
The design of a high-quality screening collection is of utmost importance for the early drug-discovery process and provides, in combination with high-quality assay systems, the foundation of future discoveries. Herein, we review recent trends and observations to successfully expand the access to bioactive chemical space, including the feedback from hit assessment interviews of high-throughput screening campaigns; recent successes with chemogenomics target family approaches, the identification of new relevant target/domain families, diversity-oriented synthesis and new emerging compound classes, and non-classical approaches, such as fragment-based screening and DNA-encoded chemical libraries. The role of in silico library design approaches are emphasized.
高质量筛选库的设计对于早期药物发现过程至关重要，并与高质量的测定系统相结合，为未来的发现奠定基础。在此，我们回顾了最近的趋势和观察结果，成功地扩展了生物活性化学空间的获取途径，包括高通量筛选活动的命中评估访谈的反馈；化学生物基因组学靶家族方法的最新成功案例、新的相关靶/结构域家族的鉴定、多样性导向合成和新出现的化合物类别，以及非经典方法，如片段筛选和 DNA 编码化学文库。强调了计算机库设计方法的作用。
