Highlights•Which molecular dynamics (MD) techniques are available for drug design?•How
is MD used to investigate ligand–macromolecule complexes?•How are MD studies applied …

As a functional dye, cyanine dye promotes the widespread application of bioprobes in the
fields of medicine, genetics and environment, owing to its advantages of good photophysical …

Accumulating evidence has linked G-quadruplex structures to a number of biological
processes in vivo, including DNA replication, transcription, and genomic maintenance …

Guanine‐rich nucleic acid sequences able to form four‐stranded structures (G‐
quadruplexes, G4) play key cellular regulatory roles and are considered as promising drug …

G-Quadruplex nucleic acids or G-quadruplexes (G4s) are four-stranded DNA or RNA
secondary structures that are formed in guanine-rich sequences. They are widely distributed …

G-quadruplexes are four-stranded nucleic acid secondary structures that are formed in
guanine-rich sequences. G-quadruplexes are widely distributed in functional regions of the …

Telomeric G-quadruplex targeting and telomere maintenance interference are emerging as
attractive strategies for anticancer therapies. Here, a novel molecular scaffold is explored for …

A tailor-made colorimetric and red-emitting fluorescent dual probe for G-quadruplex nucleic
acids was developed by incorporating a coumarin–hemicyanine fluorophore into an …

A series of isaindigotone derivatives and analogues were designed, synthesized and
evaluated as dual inhibitors of cholinesterases (ChEs) and self-induced β-amyloid (Aβ) …

The c-KIT G-quadruplex structures are a novel class of attractive targets for the treatment of
gastrointestinal stromal tumor (GIST). Herein, a series of new quinazolone derivatives with …