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Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds.

Abstract：

:The malignant brain tumor (MBT) repeat is an important epigenetic-code "reader" and is functionally associated with differentiation, gene silencing, and tumor suppression. (1-3) Small molecule probes of MBT domains should enable a systematic study of MBT-containing proteins and potentially reveal novel druggable targets. We designed and applied a virtual screening strategy that identified potential MBT antagonists in a large database of commercially available compounds. A small set of virtual hits was purchased and submitted to experimental testing. Nineteen of the purchased compounds showed a specific dose-dependent protein binding and will provide critical structure-activity information for subsequent lead generation and optimization.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Kireev D,Wigle TJ,Norris-Drouin J,Herold JM,Janzen WP,Frye SV

doi

10.1021/jm1007374

subject

Has Abstract

pub_date

2010-11-11 00:00:00

pages

7625-31

issue

21

eissn

0022-2623

issn

1520-4804

journal_volume

53

pub_type

杂志文章

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