Tandem application of ligand-based virtual screening and G4-OAS assay to identify novel G-quadruplex-targeting chemotypes

• Published in: Biochimica et biophysica acta. General subjects Vol. 1861; no. 5; pp. 1341 - 1352
• Main Authors: Musumeci, Domenica, Amato, Jussara, Zizza, Pasquale, Platella, Chiara, Cosconati, Sandro, Cingolani, Chiara, Biroccio, Annamaria, Novellino, Ettore, Randazzo, Antonio, Giancola, Concetta, Pagano, Bruno, Montesarchio, Daniela
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.05.2017
• Subjects: adverse effects; Anticancer agents; antineoplastic agents; Antineoplastic Agents - chemistry; Antineoplastic Agents - metabolism; Antineoplastic Agents - pharmacology; Binding Sites; Cell Line, Transformed; cell proliferation; Cell Proliferation - drug effects; Cell Survival - drug effects; chemotypes; DNA; DNA damage; DNA, Neoplasm - chemistry; DNA, Neoplasm - drug effects; DNA, Neoplasm - genetics; DNA, Neoplasm - metabolism; Dose-Response Relationship, Drug; Drug Design; Drug discovery; fluorescent antibody technique; G-quadruplex; G-Quadruplexes - drug effects; Guanosine - chemistry; Guanosine - metabolism; High-Throughput Screening Assays; Humans; Ligands; Models, Molecular; neoplasms; Neoplasms - drug therapy; Neoplasms - genetics; Neoplasms - pathology; screening; Small Molecule Libraries; Structure-Activity Relationship; Telomere - chemistry; Telomere - drug effects; Telomere - genetics; Telomere - metabolism; telomeres; Time Factors; Virtual screening; Virtual screening; Anticancer agents; Drug discovery; G-quadruplex

G-quadruplex (G4) structures are key elements in the regulation of cancer cell proliferation and their targeting is deemed to be a promising strategy in anticancer therapy. A tandem application of ligand-based virtual screening (VS) calculations together with the experimental G-quadruplex on Oligo A...