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

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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.


R. Moriev

Enamine Ltd

Author for correspondence.
Email: s.zozulya@enamine.net

Ukraine

O. Vasylchenko

Enamine Ltd

Email: s.zozulya@enamine.net

Ukraine

M. Platonov

Enamine Ltd

Email: s.zozulya@enamine.net

Ukraine

O. Grygorenko

Enamine Ltd; Kyiv National Taras Shevchenko University

Email: s.zozulya@enamine.net

Ukraine

K. Volkova

Enamine Ltd

Email: s.zozulya@enamine.net

Ukraine

S. Zozulya

Enamine Ltd

Email: s.zozulya@enamine.net

Ukraine

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Copyright (c) 2013 Moriev R., Vasylchenko O., Platonov M., Grygorenko O., Volkova K., Zozulya S.

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