2. Academic Validation
  3. Novel anti-prostate cancer scaffold identified by the combination of in silico and cell-based assays targeting the PI3K-AKT-mTOR pathway

Novel anti-prostate cancer scaffold identified by the combination of in silico and cell-based assays targeting the PI3K-AKT-mTOR pathway

  • Bioorg Med Chem Lett. 2017 Sep 1;27(17):4001-4006. doi: 10.1016/j.bmcl.2017.07.061.
Marta Érica Saidel 1,  Karen C Dos Santos 1,  Luís F P Nagano 1,  Carlos Alberto Montanari 1,  Andrei Leitão 2
Affiliations

Affiliations

  • 1 Medicinal Chemistry Group (NEQUIMED), São Carlos Institute of Chemistry, University of São Paulo, Brazil.
  • 2 Medicinal Chemistry Group (NEQUIMED), São Carlos Institute of Chemistry, University of São Paulo, Brazil. Electronic address: andleitao@iqsc.usp.br.
PMID: 28774426 DOI: 10.1016/j.bmcl.2017.07.061
Abstract

Phenotypic assays were performed in prostate Cancer cell lines to describe the biological activity of PI3K-AKT-mTOR pathway inhibitors retrieved from the virtual screening initiative. These novel chemicals share in common the aminopyridine scaffold, hitting PC-3 cells in macromolar range, with selectivity index over fibroblast cell lines. Moreover, a preliminary study of the mode of action by flow cytometry assay pointed out that these compounds had a rapamycin-like response for the PI3K-AKT-mTOR pathway modulation.

Keywords

Cell-based assays; In silico screening; PI3K-AKT-mTOR pathway inhibitors; Prostate cancer.

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