Structure-based design of selective high-affinity telomeric quadruplex-binding ligands

Structure-based design of selective high-affinity telomeric quadruplex-binding ligands
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DOI:
10.1039/c0cc02917c
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发表时间:
2010-01-01
影响因子:
4.9
通讯作者:
Neidle, Stephen
Neidle, Stephen
中科院分区:
化学2区
文献类型:
--
作者:
Lombardo, Caterina Maria;Martinez, Iria Sanchez;Neidle, Stephen

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已经开发了一个基于三唑的端粒四链体选择性配体库,该库模拟了一个已建立的基于三取代吖啶的配体家族,使用晶体结构数据作为基于计算机的设计的起点。通过电喷雾质谱法估计的结合亲和力与设计概念雅阁。
A library of triazole-based telomeric quadruplex-selective ligands has been developed that mimic an established family of tri-substituted acridine-based ligands, using crystal structure data as a starting-point for computer-based design. Binding affinities, estimated by electrospray mass spectrometry, are in accord with the design concept.