Department of Chemical Biology, Max-Planck-Institute of Molecular Physiology, Otto-Hahn-Strasse 11, 44227 Dortmund, Germany.
Nat Prod Rep. 2020 Nov 18;37(11):1497-1510. doi: 10.1039/d0np00015a.
Covering: up to 2020 Natural products (NPs) provide inspiration for the design of biologically active compounds and libraries. In this review, we cover several experimental and in silico approaches, which have been used to simplify NPs and guide NP-based library design. Earlier approaches, like the structural classification of natural products (SCONP) and biology-oriented synthesis (BIOS), focus on the identification of activity determining scaffolds and the synthesis of corresponding compound collections. More recently, NP fragments identified by means of cheminformatic analysis of the Dictionary of Natural Products (DNP) have been combined in unprecedented fashions to yield pseudo natural products (pseudo NPs), which show biological activities unrelated to the guiding NPs. Each approach was also the source of chemical innovation, in which synthetic methods were established for the rapid assembly of NP-inspired compounds and libraries.
截至 2020 年 天然产物（NPs）为生物活性化合物和文库的设计提供了灵感。在这篇综述中，我们介绍了几种已被用于简化 NPs 并指导基于 NPs 的文库设计的实验和计算方法。早期的方法，如天然产物结构分类（SCONP）和面向生物学的合成（BIOS），侧重于确定活性决定支架的鉴定和相应化合物集合的合成。最近，通过对天然产物词典（DNP）的化学信息学分析确定的 NP 片段以空前的方式组合在一起，得到了具有生物活性的伪天然产物（pseudo NPs），这些产物与指导 NP 无关。每种方法也是化学创新的来源，其中建立了用于快速组装受 NP 启发的化合物和文库的合成方法。
