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Identification of Novel IGF1R Kinase Inhibitors by Molecular Modeling and High-Throughput Screening.

ABSTRACT: The aim of this study was to identify small molecule compounds that inhibit the kinase activity of the IGF1 receptor and represent novel chemical scaffolds, which can be potentially exploited to develop drug candidates that are superior to the existing experimental anti-IGF1R therapeuticals. To this end, targeted compound libraries were produced by virtual screening using molecular modeling and docking strategies, as well as the ligand-based pharmacophore model. High-throughput screening of the resulting compound sets in a biochemical kinase inhibition assay allowed us to identify several novel chemotypes that represent attractive starting points for the development of advanced IGF1R inhibitory compounds.

SUBMITTER: Moriev R 

PROVIDER: S-EPMC3695357 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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Identification of Novel IGF1R Kinase Inhibitors by Molecular Modeling and High-Throughput Screening.

Moriev R R   Vasylchenko O O   Platonov M M   Grygorenko O O   Volkova K K   Zozulya S S  

Acta naturae 20130401 2

The aim of this study was to identify small molecule compounds that inhibit the kinase activity of the IGF1 receptor and represent novel chemical scaffolds, which can be potentially exploited to develop drug candidates that are superior to the existing experimental anti-IGF1R therapeuticals. To this end, targeted compound libraries were produced by virtual screening using molecular modeling and docking strategies, as well as the ligand-based pharmacophore model. High-throughput screening of the  ...[more]

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