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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.

SUBMITTER: Kireev D

PROVIDER: S-EPMC2974617 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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

Kireev Dmitri D Wigle Tim J TJ Norris-Drouin Jacqueline J Herold J Martin JM Janzen William P WP Frye Stephen V SV

Journal of medicinal chemistry 20101101 21

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 hi ...[more]

PMID: 20931980

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