Scaffold hopping.
Scaffold hopping.
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DOI：
10.1016/j.ddtec.2004.10.009
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发表时间：
2004-12-01
期刊：
影响因子：
--
通讯作者：
Stahl, Martin
中科院分区：
文献类型：
--
作者：
Bohm, Hans-Joachim;Flohr, Alexander;Stahl, Martin
支架跳跃的目的是通过修饰分子的中心核心结构，从已知的活性化合物开始发现结构上的新化合物。支架跳跃是现代药物化学的核心任务，需要多种技术，本文将对此进行讨论。它们的应用导致了几种具有完全不同化学核心结构的分子，但却与相同的受体结合。脚手架跳跃的计算方法突出了该领域尚未解决的挑战。
The aim of scaffold hopping is to discover structurally novel compounds starting from known active compounds by modifying the central core structure of the molecule. Scaffold hopping is a central task of modern medicinal chemistry requiring a multitude of techniques, which are discussed in this article. Their application has led to several molecules with chemically completely different core structures, and yet binding to the same receptor. Computational approaches for scaffold hopping highlight the challenges of the field that are still unsolved.: