Virtual screening and biological evaluation of PPARγ antagonists as potential anti-prostate cancer agents. (15th September 2021)

• Record Type: Journal Article
• Authors: Almahmoud, Suliman; Elix, Catherine C.; Jones, Jeremy O.; Hopkins, Corey R.; Vennerstrom, Jonathan L.; Zhong, Haizhen A.
• Is Part Of: Bioorganic & medicinal chemistry. Volume 46(2021)
• Publication Date: 2021-09-15
• Subjects: PPARγ -- Virtual screening -- Anticancer -- Prostate cancer -- Docking; Bioorganic chemistry -- Periodicals; Pharmaceutical chemistry -- Periodicals; Biochemistry -- Periodicals; Chemistry, Clinical -- Periodicals; Chemistry, Organic -- Periodicals; Chimie bio-organique -- Périodiques; Chimie pharmaceutique -- Périodiques; 615.19
• DOI: 10.1016/j.bmc.2021.116368
• Languages: English
• ISSNs: 0968-0896

Abstract

Graphical abstract: 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.