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Article: Molecular modeling of drug-DNA interactions: Virtual screening to structure-based design

TitleMolecular modeling of drug-DNA interactions: Virtual screening to structure-based design
Authors
Issue Date2011
PublisherElsevier France, Editions Scientifiques et Medicales. The Journal's web site is located at http://www.elsevier.com/locate/biochi
Citation
Biochimie, 2011, v. 93 n. 8, p. 1252-1266 How to Cite?
AbstractVirtual ligand screening (VLS) and structure-based design are strategies that have been routinely used for the development of pharmaceuticals, particularly those targeting enzymes and other protein targets. In recent years, an increased understanding of the role played by nucleic acids in biological systems made DNA an alternative candidate for the development of new drugs. This review highlights some successful applications of molecular modeling in virtual ligand screening and structure-based design of organic and inorganic molecules that target non-canonical nucleic acid structures such as G-quadruplex and triplex DNA. © 2011 Elsevier Masson SAS. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/168544
ISSN
2015 Impact Factor: 2.474
2015 SCImago Journal Rankings: 1.462
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorMa, DLen_US
dc.contributor.authorChan, DSHen_US
dc.contributor.authorLee, Pen_US
dc.contributor.authorKwan, MHTen_US
dc.contributor.authorLeung, CHen_US
dc.date.accessioned2012-10-08T03:20:21Z-
dc.date.available2012-10-08T03:20:21Z-
dc.date.issued2011en_US
dc.identifier.citationBiochimie, 2011, v. 93 n. 8, p. 1252-1266en_US
dc.identifier.issn0300-9084en_US
dc.identifier.urihttp://hdl.handle.net/10722/168544-
dc.description.abstractVirtual ligand screening (VLS) and structure-based design are strategies that have been routinely used for the development of pharmaceuticals, particularly those targeting enzymes and other protein targets. In recent years, an increased understanding of the role played by nucleic acids in biological systems made DNA an alternative candidate for the development of new drugs. This review highlights some successful applications of molecular modeling in virtual ligand screening and structure-based design of organic and inorganic molecules that target non-canonical nucleic acid structures such as G-quadruplex and triplex DNA. © 2011 Elsevier Masson SAS. All rights reserved.en_US
dc.languageengen_US
dc.publisherElsevier France, Editions Scientifiques et Medicales. The Journal's web site is located at http://www.elsevier.com/locate/biochien_US
dc.relation.ispartofBiochimieen_US
dc.subject.meshBinding Sitesen_US
dc.subject.meshDnaen_US
dc.subject.meshDrug Designen_US
dc.subject.meshDrug Evaluation, Preclinical - Methodsen_US
dc.subject.meshG-Quadruplexesen_US
dc.subject.meshLigandsen_US
dc.subject.meshModels, Molecularen_US
dc.titleMolecular modeling of drug-DNA interactions: Virtual screening to structure-based designen_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.biochi.2011.04.002en_US
dc.identifier.pmid21514356-
dc.identifier.scopuseid_2-s2.0-79960697801en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-79960697801&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume93en_US
dc.identifier.issue8en_US
dc.identifier.spage1252en_US
dc.identifier.epage1266en_US
dc.identifier.isiWOS:000294032100007-
dc.publisher.placeFranceen_US
dc.identifier.scopusauthoridMa, DL=7402075538en_US
dc.identifier.scopusauthoridChan, DSH=35285471900en_US
dc.identifier.scopusauthoridLee, P=37100150400en_US
dc.identifier.scopusauthoridKwan, MHT=37039555100en_US
dc.identifier.scopusauthoridLeung, CH=7402612570en_US

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