Virtual screening and biological evaluation of PPARγ antagonists as potential anti-prostate cancer agents

Suliman Almahmoud, Catherine C. Elix, Jeremy O. Jones, Corey R. Hopkins, Jonathan L. Vennerstrom, Haizhen A. Zhong

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The peroxisome proliferator-activated receptor gamma (PPARγ) was identified as an oncogene and it plays a key role in prostate cancer (PC) development and progression. PPARγ antagonists have been shown to inhibit PC cell growth. Herein, we describe a virtual screening-based approach that led to the discovery of novel PPARγ antagonist chemotypes that bind at the allosteric pocket. Arg288, Lys367, and His449 appear to be important for PPARγ antagonist binding.

Original languageEnglish (US)
Article number116368
JournalBioorganic and Medicinal Chemistry
Volume46
DOIs
StatePublished - Sep 15 2021

Keywords

  • Anticancer
  • Docking
  • PPARγ
  • Prostate cancer
  • Virtual screening

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

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