G-quadruplex Virtual Drug Screening: A Review

Overview

Journal Biochimie

Specialty Biochemistry

Date 2018 Jul 4

PMID 29966734

Citations 26

Authors

Robert C Monsen

John O Trent

Affiliations

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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.

Citing Articles

Insights into the Molecular Structure, Stability, and Biological Significance of Non-Canonical DNA Forms, with a Focus on G-Quadruplexes and i-Motifs.

Obara P, Wolski P, Panczyk T Molecules. 2024; 29(19).

PMID: 39407611 PMC: 11477922. DOI: 10.3390/molecules29194683.

A Phenotypic Approach to the Discovery of Potent G-Quadruplex Targeted Drugs.

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Bioactive nutraceuticals as G4 stabilizers: potential cancer prevention and therapy-a critical review.

Choudhury S, Kumar P, Choudhury D Naunyn Schmiedebergs Arch Pharmacol. 2023; 397(6):3585-3616.

PMID: 38019298 DOI: 10.1007/s00210-023-02857-z.

G-Quadruplexes in the Viral Genome: Unlocking Targets for Therapeutic Interventions and Antiviral Strategies.

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G4-QuadScreen: A Computational Tool for Identifying Multi-Target-Directed Anticancer Leads against G-Quadruplex DNA.

Bhat-Ambure J, Ambure P, Serrano-Candelas E, Galiana-Rosello C, Gil-Martinez A, Guerrero M Cancers (Basel). 2023; 15(15).

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