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Related Concept Videos

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.

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Related Experiment Video

Updated: May 10, 2026

Single-molecule Manipulation of G-quadruplexes by Magnetic Tweezers
08:28

Single-molecule Manipulation of G-quadruplexes by Magnetic Tweezers

Published on: September 19, 2017

Small-molecule G-quadruplex interactions: Systematic exploration of conformational space using multiple molecular

Jarmila Husby1, Alan K Todd, James A Platts

  • 1School of Pharmacy, University College London, London, WC1N 1AX, UK.

Biopolymers
|July 6, 2013
PubMed
Summary
This summary is machine-generated.

G-quadruplexes are flexible DNA structures. A new computational method combining molecular dynamics and sampling addresses this flexibility, aiding the discovery of new quadruplex-binding molecules.

Keywords:
dnadrugquadruplex

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In Vitro Chemical Mapping of G-Quadruplex DNA Structures by Bis-3-Chloropiperidines
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In Vitro Chemical Mapping of G-Quadruplex DNA Structures by Bis-3-Chloropiperidines

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Related Experiment Videos

Last Updated: May 10, 2026

Single-molecule Manipulation of G-quadruplexes by Magnetic Tweezers
08:28

Single-molecule Manipulation of G-quadruplexes by Magnetic Tweezers

Published on: September 19, 2017

Single-Molecule Fluorescence Visualization of DNA Polymerase Dynamics at G-Quadruplexes
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Single-Molecule Fluorescence Visualization of DNA Polymerase Dynamics at G-Quadruplexes

Published on: April 4, 2025

In Vitro Chemical Mapping of G-Quadruplex DNA Structures by Bis-3-Chloropiperidines
05:32

In Vitro Chemical Mapping of G-Quadruplex DNA Structures by Bis-3-Chloropiperidines

Published on: May 12, 2023

Area of Science:

  • Genomics
  • Structural Biology
  • Computational Chemistry

Background:

  • G-quadruplexes are four-stranded nucleic acid structures crucial in various genomic regions.
  • Their conformational flexibility, particularly in loop regions, hinders structure-based drug design.
  • Targeting G-quadruplexes with small molecules is a significant area of therapeutic interest.

Purpose of the Study:

  • To present a novel computational approach to overcome the challenge of G-quadruplex conformational flexibility.
  • To facilitate the discovery and optimization of small molecules that bind to G-quadruplexes.

Main Methods:

  • A combined multiple molecular dynamics and sampling approach was employed.
  • The method was tested using two small molecules, RHPS4 and pyridostatin, with varying flexibility.

Main Results:

  • The developed computational strategy effectively addresses the conformational flexibility of G-quadruplexes.
  • This approach provides a robust framework for structure-based design of G-quadruplex ligands.

Conclusions:

  • The presented method offers a solution for studying flexible G-quadruplex structures.
  • This advancement is expected to accelerate the development of novel therapeutics targeting G-quadruplexes.