Modeling and NMR Data Elucidate the Structure of a G-Quadruplex–Ligand Interaction for a Pu22T-Cyclometalated Iridium(III) System
Carly R Reed, Scott D Kennedy, Rachel H Horowitz, Anees Mohammed Keedakkatt Puthenpeedikakkal, Harry A Stern, David H Mathews · 2024
Read Modeling and NMR Data Elucidate the Structure of a G-Quadruplex–Ligand Interaction for a Pu22T-Cyclometalated Iridium(III) System by Carly R Reed, Scott D Kennedy, Rachel H Horowitz, Anees Mohammed Keedakkatt Puthenpeedikakkal, Harry A Stern, David H Mathews (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-11613442.txt.
Description
Carly Reed and co-authors pin down where a metal compound grips a folded DNA structure, in a 2024 paper. G-quadruplexes are four-stranded DNA knots found in gene-control regions, and metal complexes that bind them are candidates for sensors and drugs. An iridium compound was titrated into a quadruplex called Pu22T while NMR watched the atoms shift.
The shifts flagged five guanine positions, pointing to the compound stacking on the top face of the knot. Docking and dynamics simulations produced matching poses, letting the team compare guessed and measured binding sites. Agreement between bench and computer builds confidence in designing the next binder on screen first.
Catalog record
| CREATOR | Carly R Reed, Scott D Kennedy, Rachel H Horowitz, Anees Mohammed Keedakkatt Puthenpeedikakkal, Harry A Stern, David H Mathews |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 33 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |