Department of Pharmacy, National University of Singapore, 18 Science Drive 4, Singapore, Singapore, 117543, Singapore.
ChemMedChem. 2022 Apr 5;17(7):e202100710. doi: 10.1002/cmdc.202100710. Epub 2022 Feb 11.
Many concepts and guidelines in medicinal chemistry have been introduced to aid in successful drug discovery and development. An example is the concept of Pan-Assay Interference Compounds (PAINS) and the elimination of such nuisance compounds from high-throughput screening (HTS) libraries. PAINs, along with other guidelines in medicinal chemistry, are like double-edged swords. If used appropriately, they may be beneficial for drug discovery and development. However, rigid and blind use of such concepts can hinder productivity. In this perspective, we introduce GAINS (give attention to limitations in assays) and highlight its relevance for successful drug discovery.
许多概念和指导方针在药物化学中被引入,以帮助成功地发现和开发药物。一个例子是泛分析干扰化合物(PAINS)的概念,以及从高通量筛选(HTS)文库中消除这些有害化合物。PAINS 与药物化学中的其他指导方针一样,是一把双刃剑。如果使用得当,它们可能对药物发现和开发有益。然而,死板和盲目地使用这些概念可能会阻碍生产力。在这篇观点文章中,我们引入了 GAINS(关注测定中的局限性),并强调了它对成功药物发现的相关性。