Premium
Discovery of a Drug‐Like G‐Quadruplex Binding Ligand by High‐Throughput Docking
Author(s) -
Ma DikLung,
Lai TatShing,
Chan FungYi,
Chung WaiHong,
Abagyan R.,
Leung YunChung,
Wong KwokYin
Publication year - 2008
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200700342
Subject(s) - chemistry , in silico , docking (animal) , combinatorial chemistry , g quadruplex , ligand (biochemistry) , drug discovery , dna , selectivity , duplex (building) , stereochemistry , drug , computational biology , biochemistry , pharmacology , biology , receptor , gene , medicine , nursing , catalysis
A new G‐quadruplex binding ligand , namely 1 H ‐pyrazole‐3‐carboxy‐4‐methyl‐5‐phenyl‐(1 H ‐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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom