G-quadruplex Virtual Drug Screening: A Review.

G-quadruplex Virtual Drug Screening: A Review.
Biochimie. 2018 Jun 29;:
Authors: Monsen RC, Trent JO
Abstract
Over the past two decades biologists and bioinformaticians have unearthed substantial evidence supporting a role for G-quadruplexes as important mediators of biological processes. This includes telomere damage signaling, transcriptional activity, and splicing. Both their structural heterogeneity and their abundance in oncogene promoters makes them ideal targets for drug discovery. Currently, there are hundreds of deposited DNA and RNA quadruplex atomic structures which have allowed researchers to begin using in silico drug screening approaches to develop novel stabilizing ligands. Here we provide a review of the past decade of G-quadruplex virtual drug discovery approaches and campaigns. With this we introduce relevant virtual screening platforms followed by a discussion of best practices to assist future G4 VS campaigns.
PMID: 29966734 [PubMed - as supplied by publisher]

Source: Biochimie - June 29, 2018 Category: Biochemistry Authors: Monsen RC, Trent JO Tags: Biochimie Source Type: research