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Diversity-Oriented Library Synthesis from Steviol and Isosteviol-Derived Scaffolds.
ACS Combinatorial Science Pub Date : 2020-02-17 , DOI: 10.1021/acscombsci.9b00186 Trinh A D Holth 1 , Michael A Walters 1 , Oliver E Hutt 1 , Gunda I Georg 1
ACS Combinatorial Science Pub Date : 2020-02-17 , DOI: 10.1021/acscombsci.9b00186 Trinh A D Holth 1 , Michael A Walters 1 , Oliver E Hutt 1 , Gunda I Georg 1
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The readily available natural product stevioside provides a unique diterpene core structure that can be explored for small molecule library development by diversity-oriented synthesis and functional group transformations. Validation arrays were prepared from steviol, isosteviol, and related analogues, derived from stevioside, to produce over 90 compounds. These compounds were submitted to the NIH Molecular Libraries Small Molecule Repository for screening in the Molecular Libraries Screening Center Network. Micromolar hits were identified in multiple high-throughput assays for several library members. A cheminformatics analysis of the compounds was performed that verified the expected diversity and complexity of this set of compounds. The screening results indicate that scaffolds-derived natural products can provide screening hits against multiple target proteins.
中文翻译：
从甜菊醇和异甜菊醇衍生的支架合成面向多样性的图书馆。
容易获得的天然产物甜菊糖苷提供了独特的二萜核心结构，可通过面向多样性的合成和官能团转换来探索小分子文库的开发。验证阵列由甜菊醇、异甜菊醇和衍生自甜菊苷的相关类似物制备，以产生 90 多种化合物。这些化合物已提交给 NIH 分子库小分子存储库，以便在分子库筛选中心网络中进行筛选。在多个文库成员的多个高通量分析中确定了微摩尔命中。对化合物进行了化学信息学分析，验证了这组化合物的预期多样性和复杂性。
更新日期：2020-02-17
中文翻译：
从甜菊醇和异甜菊醇衍生的支架合成面向多样性的图书馆。
容易获得的天然产物甜菊糖苷提供了独特的二萜核心结构，可通过面向多样性的合成和官能团转换来探索小分子文库的开发。验证阵列由甜菊醇、异甜菊醇和衍生自甜菊苷的相关类似物制备，以产生 90 多种化合物。这些化合物已提交给 NIH 分子库小分子存储库，以便在分子库筛选中心网络中进行筛选。在多个文库成员的多个高通量分析中确定了微摩尔命中。对化合物进行了化学信息学分析，验证了这组化合物的预期多样性和复杂性。
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