Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.

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 it...

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Autores principales:	Dik-Lung Ma, Daniel Shiu-Hin Chan, Wai-Chung Fu, Hong-Zhang He, Hui Yang, Siu-Cheong Yan, Chung-Hang Leung
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2012
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/31827df75904473e9e38d151e3ca860b
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spelling	oai:doaj.org-article:31827df75904473e9e38d151e3ca860b2021-11-18T07:08:24ZDiscovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.1932-620310.1371/journal.pone.0043278https://doaj.org/article/31827df75904473e9e38d151e3ca860b2012-01-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/22912844/pdf/?tool=EBIhttps://doaj.org/toc/1932-6203The 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.Dik-Lung MaDaniel Shiu-Hin ChanWai-Chung FuHong-Zhang HeHui YangSiu-Cheong YanChung-Hang LeungPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 7, Iss 8, p e43278 (2012)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Dik-Lung Ma Daniel Shiu-Hin Chan Wai-Chung Fu Hong-Zhang He Hui Yang Siu-Cheong Yan Chung-Hang Leung Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.
description	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.
format	article
author	Dik-Lung Ma Daniel Shiu-Hin Chan Wai-Chung Fu Hong-Zhang He Hui Yang Siu-Cheong Yan Chung-Hang Leung
author_facet	Dik-Lung Ma Daniel Shiu-Hin Chan Wai-Chung Fu Hong-Zhang He Hui Yang Siu-Cheong Yan Chung-Hang Leung
author_sort	Dik-Lung Ma
title	Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.
title_short	Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.
title_full	Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.
title_fullStr	Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.
title_full_unstemmed	Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.
title_sort	discovery of a natural product-like c-myc g-quadruplex dna groove-binder by molecular docking.
publisher	Public Library of Science (PLoS)
publishDate	2012
url	https://doaj.org/article/31827df75904473e9e38d151e3ca860b
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Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking.

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