Discovery of a drug-like G-quadruplex binding ligand by high-throughput docking

Dik Lung Ma*, Tat Shing Lai, Fung Yi Chan, Wai Hong Chung, R. Abagyan, Yun Chung Leung, Kwok Yin Wong*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

46 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)881-884
Number of pages4
JournalChemMedChem
Volume3
Issue number6
DOIs
Publication statusPublished - 16 Jun 2008

Scopus Subject Areas

  • Biochemistry
  • Molecular Medicine
  • Pharmacology
  • Drug Discovery
  • Pharmacology, Toxicology and Pharmaceutics(all)
  • Organic Chemistry

User-Defined Keywords

  • DNA
  • G-quadruplexes
  • High-throughput docking
  • Ligands
  • Selectivity

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