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Virtual screening and biological evaluation of PPARγ antagonists as potential anti-prostate cancer agents.
- Source :
-
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2021 Sep 15; Vol. 46, pp. 116368. Date of Electronic Publication: 2021 Aug 13. - Publication Year :
- 2021
-
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.<br /> (Copyright © 2021 Elsevier Ltd. All rights reserved.)
- Subjects :
- Antineoplastic Agents chemical synthesis
Antineoplastic Agents chemistry
Cell Proliferation drug effects
Dose-Response Relationship, Drug
Drug Evaluation, Preclinical
Drug Screening Assays, Antitumor
Humans
Male
Molecular Structure
PPAR gamma metabolism
Prostatic Neoplasms metabolism
Prostatic Neoplasms pathology
Structure-Activity Relationship
Tumor Cells, Cultured
Antineoplastic Agents pharmacology
PPAR gamma antagonists & inhibitors
Prostatic Neoplasms drug therapy
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3391
- Volume :
- 46
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 34433102
- Full Text :
- https://doi.org/10.1016/j.bmc.2021.116368