Abstract：
The development of efficient methods for dereplication has been critical in the re-emergence of the research in natural products as a source of drug leads. Current dereplication workflows rapidly identify already known bioactive secondary metabolites in the early stages of any drug discovery screening campaign based on natural extracts or enriched fractions. Two main factors have driven the evolution of natural products dereplication over the last decades. First, the availability of both commercial and public large databases of natural products containing the key annotations against which the biological and chemical data derived from the studied sample are searched for. Second, the considerable improvement achieved in analytical technologies (including instrumentation and software tools) employed to obtain robust and precise chemical information (particularly spectroscopic signatures) on the compounds present in the bioactive natural product samples. This chapter describes the main methods of dereplication, which rely on the combined use of large natural product databases and spectral libraries, alongside the information obtained from chromatographic, UV-Vis, MS, and NMR spectroscopic analyses of the samples of interest.
摘要：
开发有效的去复制方法对于作为药物线索来源的天然产物的研究的重新出现至关重要。当前的去复制工作流程在基于天然提取物或富集级分的任何药物发现筛选活动的早期阶段快速识别已知的生物活性次级代谢物。在过去的几十年中，有两个主要因素推动了天然产物去复制的进化。首先,商业和公共大型天然产品数据库的可用性，其中包含关键注释，从中搜索来自研究样品的生物和化学数据。第二,在用于获得生物活性天然产物样品中存在的化合物的稳健和精确的化学信息（特别是光谱特征）的分析技术（包括仪器和软件工具）方面取得了相当大的改进。本章介绍了去复制的主要方法，它们依赖于大型天然产物数据库和光谱库的结合使用，除了从色谱中获得的信息，UV-Vis,MS,和感兴趣的样品的NMR光谱分析。
