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Discovery of a natural product-like c-myc G-Quadruplex DNA groove-binder by molecular docking
Ma D.-L.1; Chan D.S.-H.1; Fu W.-C.1; He H.-Z.1; Yang H.1; Yan S.-C.2; Leung C.-H.3,4
2012
Source PublicationPLoS ONE
ISSN19326203
Volume7Issue:8
Abstract

The natural product-like carbamide (1) has been identified as a stabilizer of the c-myc G-quadruplex through high-throughput virtual screening. NMR and molecular modeling experiments revealed a groove-binding mode for 1. The biological activity of 1 against the c-myc G-quadruplex was confirmed by its ability to inhibit Taq polymerase-mediated DNA extension and c-myc expression in vitro, demonstrating that 1 is able to control c-myc gene expression at the transcriptional level presumably through the stabilization of the c-myc promoter G-quadruplex. Furthermore, the interaction between carbamide analogues and the c-myc G-quadruplex was also investigated by in vitro experiments in order to generate a brief structure-activity relationship (SAR) for the observed potency of carbamide 1.

DOI10.1371/journal.pone.0043278
URLView the original
Indexed BySCIE
Language英语
WOS Research AreaScience & Technology - Other Topics
WOS SubjectMultidisciplinary Sciences
WOS IDWOS:000308063700073
The Source to ArticleScopus
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Cited Times [WOS]:37   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorMa D.-L.; Leung C.-H.
Affiliation1.Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China
2.Department of Applied Biology & Chemical Technology, The Hong Kong Polytechnic University, Hong Kong, China
3.Institute of Chinese Medical Sciences, University of Macau, Macao SAR, China
4.State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao SAR, China
Corresponding Author AffilicationInstitute of Chinese Medical Sciences;  University of Macau
Recommended Citation
GB/T 7714
Ma D.-L.,Chan D.S.-H.,Fu W.-C.,et al. Discovery of a natural product-like c-myc G-Quadruplex DNA groove-binder by molecular docking[J]. PLoS ONE,2012,7(8).
APA Ma D.-L..,Chan D.S.-H..,Fu W.-C..,He H.-Z..,Yang H..,...&Leung C.-H..(2012).Discovery of a natural product-like c-myc G-Quadruplex DNA groove-binder by molecular docking.PLoS ONE,7(8).
MLA Ma D.-L.,et al."Discovery of a natural product-like c-myc G-Quadruplex DNA groove-binder by molecular docking".PLoS ONE 7.8(2012).
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