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

Autor: Lauria, Antonino, Abbate, Ilenia, Gentile, Carla, Angileri, Francesca, Martorana, Annamaria, Almerico, Anna Maria
Zdroj: Journal of Medicinal Chemistry; 20240101, Issue: Preprints
Abstrakt: 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 EC50confirmed its specific influence on the cellular pathways involving Hsp90.
Databáze: Supplemental Index