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Virtual screening and biological evaluation of PPAR gamma antagonists as potential anti-prostate cancer agents
Journal article   Peer reviewed

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

Suliman Almahmoud, Catherine C. Elix, Jeremy O. Jones, Corey R. Hopkins, Jonathan L. Vennerstrom and Haizhen A. Zhong
Bioorganic & medicinal chemistry, Vol.46, pp.116368-116368
15/09/2021
PMID: 34433102

Abstract

Biochemistry & Molecular Biology Chemistry Chemistry, Medicinal Chemistry, Organic Life Sciences & Biomedicine Pharmacology & Pharmacy Physical Sciences Science & Technology
The peroxisome proliferator-activated receptor gamma (PPAR gamma) was identified as an oncogene and it plays a key role in prostate cancer (PC) development and progression. PPAR gamma antagonists have been shown to inhibit PC cell growth. Herein, we describe a virtual screening-based approach that led to the discovery of novel PPAR gamma antagonist chemotypes that bind at the allosteric pocket. Arg288, Lys367, and His449 appear to be important for PPAR gamma antagonist binding.

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