A computational approach to revolutionise cancer treatment
Guanine-rich DNA sequences can form four-stranded structures called G-quadruplexes (G4). New evidence suggests their involvement in such functions as transcription, replication, genome stability, epigenetic regulation, and cancer growth and progression. Ligand-induced stabilisation of oncogene-associated and telomeric G4s represents an efficient approach in targeted cancer therapy. The goal of the EU-funded G4-mtQSAR project is to develop a computational methodology for the screening of small ligand molecules with the potential to target G4 DNA associated with cancer. The objective is to introduce multi-target quantitative structure–activity relationship (QSAR) models to find potential multi-target directed ligands capable of stabilising multiple G4s for several oncogenes simultaneously.