基于特权子结构快速生成具有结构多样性和类药性的化合物库。
Rapid generation of privileged substructure-based compound libraries with structural diversity and drug-likeness.
作者信息
Zhang Lei, Zheng Mingyue, Zhao Fei, Zhai Yun, Liu Hong
机构信息
CAS Key Laboratory of Receptor Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences , 555 Zuchongzhi Road, Shanghai 201203, China.
出版信息
ACS Comb Sci. 2014 Apr 14;16(4):184-91. doi: 10.1021/co4001309. Epub 2014 Feb 20.
PMID:24524741
Abstract
A library of privileged-substructure-based, heterocyclic compounds was constructed by a sequence of Ugi four-component reactions incorporating the indole motif and microwave-assisted cyclizations in branched pathways. Cheminformatic analysis confirmed that the library exhibited a high degree of structural diversity and good drug-likeness.
摘要
通过一系列乌吉四组分反应构建了一个基于特权亚结构的杂环化合物库，这些反应结合了吲哚基序和支链途径中的微波辅助环化反应。化学信息学分析证实，该化合物库具有高度的结构多样性和良好的类药性。
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