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Communication
Recognition and Stabilization of Quadruplex DNA by a Potent New Telomerase Inhibitor: NMR Studies of the 2:1 Complex of a Pentacyclic Methylacridinium Cation with d(TTAGGGT)4
Article first published online: 18 DEC 2001
DOI: 10.1002/1521-3773(20011217)40:24<4749::AID-ANIE4749>3.0.CO;2-I
© 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany
Issue
40:24<>1.0.CO;2-C/asset/cover.gif?v=1&s=b08f9faa7111269bc0c4a09514fd225adbce638b "Angewandte Chemie International Edition")
Angewandte Chemie International Edition
Volume 40, Issue 24, pages 4749–4751, December 17, 2001
Additional Information
How to Cite
Gavathiotis, E., Heald, R. A., Stevens, M. F. G. and Searle, M. S. (2001), Recognition and Stabilization of Quadruplex DNA by a Potent New Telomerase Inhibitor: NMR Studies of the 2:1 Complex of a Pentacyclic Methylacridinium Cation with d(TTAGGGT)4. Angewandte Chemie International Edition, 40: 4749–4751. doi: 10.1002/1521-3773(20011217)40:24<4749::AID-ANIE4749>3.0.CO;2-I
Publication History
- Issue published online: 18 DEC 2001
- Article first published online: 18 DEC 2001
- Manuscript Received: 2 AUG 2001
- Abstract
- Article
- References
- Cited By
Keywords:
- DNA recognition;
- G-quadruplex;
- NMR spectroscopy;
- telomerase
Graphical Abstract
40:24<4749::AID-ANIE4749>3.0.CO;2-I/asset/image_m/mcontent.gif?v=1&s=eb4b00c940bda1f01845a3b12ba8d5dc97f08b64 "Thumbnail image of graphical abstract")
Guided by 24 drug–DNA NOEs, the complex formed between RHPS4 (a novel fluorinated polycyclic methylacridinium salt with potent telomerase activity) and d(TTAGGGT)4 has been modeled by using MD simulations with drug molecules intercalated at the ApG and GpT steps. A low-energy structure for the 2:1 complex has a partial positive charge on the acridine 13-N atom (which acts as a pseudo potassium ion) positioned above the center of the G-tetrad (see picture).