期刊
CURRENT PHARMACEUTICAL DESIGN
卷 18, 期 14, 页码 1992-2001出版社
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/138161212799958350
关键词
G-quadruplex DNA; FID assay; high-throughput; screening; fluorescence; G-quadruplex ligands; thiazole orange; molecular modeling
资金
- Centre National de la Recherche Scientifique
- Institut Curie
- Agence Nationale de la Recherche (ANR) [ANR-09-BLAN-0355]
- Agence Nationale de la Recherche (ANR) [ANR-09-BLAN-0355] Funding Source: Agence Nationale de la Recherche (ANR)
Due to the lack of structural guidelines about G-quadruplex ligands, rational design cannot be the only approach to discover potent G4-ligands. As a complementary approach, screening of chemical library may provide interesting scaffolds known as hits provided that specific tools are available. In this work, the Institut Curie-CNRS chemical library was firstly screened by chemoinformatics methods. Similarity estimations by comparison with reference compounds (Phen-DC3, 360A, MMQ(12)) provided a set of molecules, which were then evaluated by high-throughput G4-FID (HT-G4-FID) against various G-quadruplex DNA. A full investigation of the most interesting molecules, using the HT-G4-FID assay and molecular modeling, supplied an interesting structure-activity relationship confirming the efficiency of this general approach. Overall, we demonstrated that HT-G4-FID coupled with screening of chemical libraries is a powerful tool to identify new G4-DNA binding scaffolds.
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