Title:Computational Tools in the Discovery of New G-Quadruplex Ligands with Potential Anticancer Activity
Volume: 12
Issue: 24
Author(s): Daimel Castillo-Gonzalez, Gisselle Perez-Machado, Federico Pallardo, Teresa-Maria Garrigues-Pelufo and Miguel-Angel Cabrera-Perez
Affiliation:
Keywords:
Cancer, drug design, G-quadruplex, oncogenes
Abstract: Guanine-rich sequences found at telomeres and oncogenes have the capacity to form G-quadruplex (G4) structures.
It has been found a relationship between the ability to stabilizing G4 structures and anticancer activity. Guanine
quadruplexes stabilization and its implication in cancer phenomena is a therapeutic target relatively recent. Computeraided
drug design has been a very useful tool for the search of new candidates. In last years, methodologies have improved
with the development of the computational sciences. The hardware is also enhanced, new techniques are explored.
NMR and X-ray information about different targets are discovered continually. The continuous augmentation of new
powerful and comprehensive software’s with this purpose is other significant factor that contributes to the discovering of
new compounds. Nevertheless computer-aided drug design has not been vastly employed in the design of new compound
with G4 stabilization activity. All things considered, this review will be focused on the influence of computational techniques
on speeding up the discovery of new G4 ligands.
