(Figure Presented) A new G-quadruplex binding ligand, namely 1H-pyrazole-3-carboxy-4-methyl-5-phenyl-(1H-indol-3-ylmethylene)hydrazide, was identified from a database of 100 000 drug-like compounds by in silico high-throughput docking. This compound was demonstrated experimentally to be an effective stabilizer of G-quadruplex DNA; it exhibits high selectivity for G-quadruplex over duplex DNA. KGaA.
- High-throughput docking
ASJC Scopus subject areas
- Molecular Medicine
- Pharmacology, Toxicology and Pharmaceutics(all)
- Organic Chemistry