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Article: In silico screening of quadruplex-binding ligands

TitleIn silico screening of quadruplex-binding ligands
Authors
KeywordsG-Quadruplex
High-Throughput
In Silico
Ligands
Molecular Docking
Virtual Screening
Issue Date2012
PublisherAcademic Press. The Journal's web site is located at http://www.elsevier.com/locate/ymeth
Citation
Methods, 2012, v. 57 n. 1, p. 106-114 How to Cite?
AbstractRecent advances in computational processing power and molecular docking algorithms have facilitated the development of computer-aided methods for the rapid and efficient discovery of G-quadruplex-interacting molecules. In this article, we provide an introductory framework for the methodology of in silico screening for the identification of novel DNA G-quadruplex ligands from chemical libraries. We discuss aspects of model construction, database selection and molecular docking techniques, and highlight representative examples from this field. Finally, we offer a perspective on the potential application of in silico techniques for the discovery of RNA G-quadruplex-binding ligands in the future. © 2012 Elsevier Inc. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/168613
ISSN
2015 Impact Factor: 3.503
2015 SCImago Journal Rankings: 2.377
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorMa, DLen_US
dc.contributor.authorMa, VPYen_US
dc.contributor.authorChan, DSHen_US
dc.contributor.authorLeung, KHen_US
dc.contributor.authorZhong, HJen_US
dc.contributor.authorLeung, CHen_US
dc.date.accessioned2012-10-08T03:21:37Z-
dc.date.available2012-10-08T03:21:37Z-
dc.date.issued2012en_US
dc.identifier.citationMethods, 2012, v. 57 n. 1, p. 106-114en_US
dc.identifier.issn1046-2023en_US
dc.identifier.urihttp://hdl.handle.net/10722/168613-
dc.description.abstractRecent advances in computational processing power and molecular docking algorithms have facilitated the development of computer-aided methods for the rapid and efficient discovery of G-quadruplex-interacting molecules. In this article, we provide an introductory framework for the methodology of in silico screening for the identification of novel DNA G-quadruplex ligands from chemical libraries. We discuss aspects of model construction, database selection and molecular docking techniques, and highlight representative examples from this field. Finally, we offer a perspective on the potential application of in silico techniques for the discovery of RNA G-quadruplex-binding ligands in the future. © 2012 Elsevier Inc. All rights reserved.en_US
dc.languageengen_US
dc.publisherAcademic Press. The Journal's web site is located at http://www.elsevier.com/locate/ymethen_US
dc.relation.ispartofMethodsen_US
dc.subjectG-Quadruplexen_US
dc.subjectHigh-Throughputen_US
dc.subjectIn Silicoen_US
dc.subjectLigandsen_US
dc.subjectMolecular Dockingen_US
dc.subjectVirtual Screeningen_US
dc.titleIn silico screening of quadruplex-binding ligandsen_US
dc.typeArticleen_US
dc.identifier.emailMa, DL:edmondma@hku.hken_US
dc.identifier.emailLeung, CH:duncanl@hkucc.hku.hken_US
dc.identifier.authorityMa, DL=rp00760en_US
dc.identifier.authorityLeung, CH=rp00730en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/j.ymeth.2012.02.001en_US
dc.identifier.pmid22391485-
dc.identifier.scopuseid_2-s2.0-84865091468en_US
dc.identifier.isiWOS:000307912100013-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridMa, DL=7402075538en_US
dc.identifier.scopusauthoridMa, VPY=53264450900en_US
dc.identifier.scopusauthoridChan, DSH=55066624100en_US
dc.identifier.scopusauthoridLeung, KH=55066271900en_US
dc.identifier.scopusauthoridZhong, HJ=55068315800en_US
dc.identifier.scopusauthoridLeung, CH=7402612570en_US
dc.identifier.citeulike10415001-

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