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First-of-its-kind STARD 3 Inhibitor: In Silico Identification and Biological Evaluation as Anticancer Agent

Lapillo, Margherita
•
Salis, Barbara
•
Palazzolo, Stefano
altro
Rizzolio, Flavio
2019
  • journal article

Periodico
ACS MEDICINAL CHEMISTRY LETTERS
Abstract
STARD3 is a cellular protein that represents an attractive target for cancer therapy, being overexpressed in breast cancer and implied in the development of colorectal, gastric, and prostate cancers. Unfortunately, no STARD3 inhibitor has been identified yet. In this work, an in silico strategy was applied to predict a reliable binding mode of cholesterol into STARD3 and to develop a pharmacophore-based virtual screening protocol that allowed the identification of the first STARD3 inhibitor ever reported. The identified compound VS1 binds STARD3 with micromolar affinity (IC 50 = 35 μM) and shows antiproliferative activity in breast (MCF7 and MDA- MB-231) and colon (HCT-116) cancer cell lines in the same concentration range (IC 50 = 49.7-105.5 μM). Although VS1 has a moderate potency, we demonstrated that it specifically targets STARD3 in the cells and induces its degradation. Overall, the results confirm the reliability of the computational strategies herein applied and the identification of the first hit compound for the development of novel potent STARD3 inhibitors. © 2019 American Chemical Society.
DOI
10.1021/acsmedchemlett.8b00509
WOS
WOS:000464767700015
Archivio
http://hdl.handle.net/11368/2943571
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85064265339
https://pubs.acs.org/doi/abs/10.1021/acsmedchemlett.8b00509
Diritti
closed access
FVG url
https://arts.units.it/request-item?handle=11368/2943571
Soggetti
  • breast and colon canc...

  • STARD3 inhibitor

  • virtual screening

  • Biochemistry

  • Drug Discovery3003 Ph...

  • Organic Chemistry

Scopus© citazioni
6
Data di acquisizione
Jun 14, 2022
Vedi dettagli
Web of Science© citazioni
13
Data di acquisizione
Mar 26, 2024
Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
Vedi dettagli
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