Structure-based design of flavone derivatives as c-myc oncogene down-regulators.

摘要: Based on molecular docking analysis of complexes between flavone and the c-myc G-quadruplex, we designed screened 30 derivatives containing various side chains that could potentially form interactions with G-quadruplex grooves. As a proof-of-concept, highest-scoring cationic pyridinium were synthesized their examined using PCR-stop assay. The stabilizing effects found to be selective towards over other biologically relevant structures, such as human telomeric sequence (HTS). interaction most potent compound series was in depth UV–Vis titration, modeling CD spectroscopy. Our results suggest addition capable inducing formation structure even absence monovalent cations. inhibitors promoters within cellular environment displayed promising cytotoxic behavior against cancer cell lines.