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 language | English (US) |
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Article number | 116368 |
Journal | Bioorganic and Medicinal Chemistry |
Volume | 46 |
DOIs | |
State | Published - 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