Synthesis and Biological Activities of a New Class of Heat Shock Protein 90 Inhibitors, Designed by Energy-Based Pharmacophore Virtual Screening

Journal of Medicinal Chemistry
2013.0

Abstract

The design through energy-based pharmacophore virtual screening has led to aminocyanopyridine derivatives as efficacious new inhibitors of Hsp90. The synthesized compounds showed a good affinity for the Hsp90 ATP binding site in the competitive binding assay. Moreover, they showed an excellent antiproliferative activity against a large number of human tumor cell lines. Further biological studies on the derivative with the higher EC50 confirmed its specific influence on the cellular pathways involving Hsp90.

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