Ethidium bromide interactions with DNA: an exploration of a classic DNA–ligand complex with unbiased molecular dynamics simulations
R Galindo-Murillo, TE Cheatham III - Nucleic acids research, 2021 - academic.oup.com
Visualization of double stranded DNA in gels with the binding of the fluorescent dye
ethidium bromide has been a basic experimental technique in any molecular biology …
ethidium bromide has been a basic experimental technique in any molecular biology …
Predicting the effect of binding molecules on the shape and mechanical properties of structured DNA assemblies
Chemo-mechanical deformation of structured DNA assemblies driven by DNA-binding
ligands has offered promising avenues for biological and therapeutic applications. However …
ligands has offered promising avenues for biological and therapeutic applications. However …
DNA minor-groove binder Hoechst 33258 destabilizes base-pairing adjacent to its binding site
XX Zhang, SL Brantley, SA Corcelli… - Communications …, 2020 - nature.com
Understanding the dynamic interactions of ligands to DNA is important in DNA-based
nanotechnologies. By structurally tracking the dissociation of Hoechst 33258-bound DNA (d …
nanotechnologies. By structurally tracking the dissociation of Hoechst 33258-bound DNA (d …
Unique features of metformin: a combined experimental, theoretical, and simulation study of its structure, dynamics, and interaction energetics with DNA grooves
There are certain small molecules that exhibit extraordinarily diverse biological activities.
Metformin is one of them. It is widely used as an antidiabetic drug for type-two diabetes …
Metformin is one of them. It is widely used as an antidiabetic drug for type-two diabetes …
A Cu (II) complex targeting the translocator protein: in vitro and in vivo antitumor potential and mechanistic insights
D Montagner, B Fresch, K Browne, V Gandin… - Chemical …, 2017 - pubs.rsc.org
A new Cu-based anticancer metallodrug which targets the translocator protein is
reported.[CuBr2 (TZ6)] elicits a remarkable in vitro cytotoxicity in sensitive and multidrug …
reported.[CuBr2 (TZ6)] elicits a remarkable in vitro cytotoxicity in sensitive and multidrug …
Understanding the kinetic mechanism of RNA single base pair formation
RNA functions are intrinsically tied to folding kinetics. The most elementary step in RNA
folding is the closing and opening of a base pair. Understanding this elementary rate …
folding is the closing and opening of a base pair. Understanding this elementary rate …
2D-IR spectroscopy shows that optimized DNA minor groove binding of Hoechst33258 follows an induced fit model
LAI Ramakers, G Hithell, JJ May… - The Journal of …, 2017 - ACS Publications
The induced fit binding model describes a conformational change occurring when a small
molecule binds to its biomacromolecular target. The result is enhanced noncovalent …
molecule binds to its biomacromolecular target. The result is enhanced noncovalent …
Combining steady state and temperature jump IR spectroscopy to investigate the allosteric effects of ligand binding to dsDNA
J Dale, CP Howe, H Toncrova, R Fritzsch… - Physical Chemistry …, 2021 - pubs.rsc.org
Changes in the structural dynamics of double stranded (ds) DNA upon ligand binding have
been linked to the mechanism of allostery without conformational change, but direct …
been linked to the mechanism of allostery without conformational change, but direct …
Coherent electronic and nuclear dynamics in a rhodamine heterodimer–DNA supramolecular complex
M Cipolloni, B Fresch, I Occhiuto, P Rukin… - Physical Chemistry …, 2017 - pubs.rsc.org
Elucidating the role of quantum coherences in energy migration within biological and
artificial multichromophoric antenna systems is the subject of an intense debate. It is also a …
artificial multichromophoric antenna systems is the subject of an intense debate. It is also a …
Understanding enhanced mechanical stability of DNA in the presence of intercalated anticancer drug: Implications for DNA associated processes
Most of the anticancer drugs bind to double-stranded DNA (dsDNA) by intercalative-binding
mode. Although experimental studies have become available recently, a molecular-level …
mode. Although experimental studies have become available recently, a molecular-level …