Comparative Analysis of Quercetin and Taxifolin Interaction with Human Telomeric G-quadruplex DNA Hybrid form based on Molecular Dynamic Simulations

Abstract

G-quadruplex stabilizing ligands demonstrated their capability to decrease cell growth in vitro and in vivo cancer models. After more than a decade of investigations aimed at targeting telomeric G-quadruplexes, the development of G-quadruplex-based binding ligands has progressed slowly with only one candidate making it to clinical trials. The most urgent problems are the lack of high-resolution structural data for many G-quadruplex forms and small molecules’ low selectivity.