Identification of new natural DNA G-quadruplex binders selected by a structure-based virtual screening approach.

ABSTRACT: The G-quadruplex DNA structures are mainly present at the terminal portion of telomeres and can be stabilized by ligands able to recognize them in a specific manner. The recognition process is usually related to the inhibition of the enzyme telomerase indirectly involved and over-expressed in a high percentage of human tumors. There are several ligands, characterized by different chemical structures, already reported in the literature for their ability to bind and stabilize the G-quadruplex structures. Using the structural and biological information available on these structures; we performed a high throughput in silico screening of commercially natural compounds databases by means of a structure-based approach followed by docking experiments against the human telomeric sequence d[AG₃(T₂AG

SUBMITTER: Artese A 

PROVIDER: S-EPMC6270229 | biostudies-literature | 2013 Sep

REPOSITORIES: biostudies-literature