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基于结构的选择性高亲和性端粒四链体结合配体的设计。

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

机构信息

CRUK Biomolecular Structure Group, The School of Pharmacy, University of London, London WC1N 1AX, UK.

出版信息

Chem Commun (Camb). 2010 Dec 28;46(48):9116-8. doi: 10.1039/c0cc02917c. Epub 2010 Oct 29.

DOI:10.1039/c0cc02917c
PMID:21038041
Abstract

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.

摘要

已经开发了一种基于三唑的端粒四聚体选择性配体库,该库模拟了一组已建立的三取代吖啶基配体,使用晶体结构数据作为计算机设计的起点。通过电喷雾质谱法估算的结合亲和力与设计概念一致。

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