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Article: Discovery of a drug-like G-quadruplex binding ligand by high-throughput docking
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TitleDiscovery of a drug-like G-quadruplex binding ligand by high-throughput docking
 
AuthorsMa, DL2
Lai, TS2
Chan, FY2
Chung, WH2
Abagyan, R1
Leung, YC2
Wong, KY2
 
KeywordsDna
G-Quadruplexes
High-Throughput Docking
Ligands
Selectivity
 
Issue Date2008
 
PublisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/110485305
 
CitationChemmedchem, 2008, v. 3 n. 6, p. 881-884 [How to Cite?]
DOI: http://dx.doi.org/10.1002/cmdc.200700342
 
Abstract(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. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
 
ISSN1860-7179
2012 Impact Factor: 2.835
2012 SCImago Journal Rankings: 0.952
 
DOIhttp://dx.doi.org/10.1002/cmdc.200700342
 
ReferencesReferences in Scopus
 
DC FieldValue
dc.contributor.authorMa, DL
 
dc.contributor.authorLai, TS
 
dc.contributor.authorChan, FY
 
dc.contributor.authorChung, WH
 
dc.contributor.authorAbagyan, R
 
dc.contributor.authorLeung, YC
 
dc.contributor.authorWong, KY
 
dc.date.accessioned2012-10-08T03:17:25Z
 
dc.date.available2012-10-08T03:17:25Z
 
dc.date.issued2008
 
dc.description.abstract(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. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
 
dc.description.natureLink_to_subscribed_fulltext
 
dc.identifier.citationChemmedchem, 2008, v. 3 n. 6, p. 881-884 [How to Cite?]
DOI: http://dx.doi.org/10.1002/cmdc.200700342
 
dc.identifier.doihttp://dx.doi.org/10.1002/cmdc.200700342
 
dc.identifier.epage884
 
dc.identifier.issn1860-7179
2012 Impact Factor: 2.835
2012 SCImago Journal Rankings: 0.952
 
dc.identifier.issue6
 
dc.identifier.scopuseid_2-s2.0-48149094964
 
dc.identifier.spage881
 
dc.identifier.urihttp://hdl.handle.net/10722/168314
 
dc.identifier.volume3
 
dc.languageeng
 
dc.publisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www3.interscience.wiley.com/cgi-bin/jhome/110485305
 
dc.publisher.placeGermany
 
dc.relation.ispartofChemMedChem
 
dc.relation.referencesReferences in Scopus
 
dc.subjectDna
 
dc.subjectG-Quadruplexes
 
dc.subjectHigh-Throughput Docking
 
dc.subjectLigands
 
dc.subjectSelectivity
 
dc.titleDiscovery of a drug-like G-quadruplex binding ligand by high-throughput docking
 
dc.typeArticle
 
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<contributor.author>Chan, FY</contributor.author>
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<contributor.author>Abagyan, R</contributor.author>
<contributor.author>Leung, YC</contributor.author>
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<description.abstract>(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. &#169; 2008 Wiley-VCH Verlag GmbH &amp; Co. KGaA.</description.abstract>
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<subject>Dna</subject>
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Author Affiliations
  1. Scripps Research Institute
  2. Hong Kong Polytechnic University