Discovery of novel androgen receptor antagonists: a hybrid approach of pharmacophore-based and docking-based virtual screening. Issue 7 (August 2015)

• Record Type: Journal Article
• Authors: Liu, Jianzhen; Liu, Bo; Guo, Guangzhu; Jing, Yongkui; Zhao, Guisen
• Is Part Of: Anti-cancer drugs. Volume 26:Issue 7(2015)
• Publication Date: 2015-08
• Subjects: androgen receptor -- antagonist -- prostate cancer -- virtual screening; Antineoplastic agents -- Periodicals; Cancer -- Chemotherapy -- Periodicals; Antineoplastic Agents -- therapeutic use -- Periodicals; Drug Therapy -- Periodicals; 616.994061
• DOI: 10.1097/CAD.0000000000000245
• Languages: English
• ISSNs: 0959-4973

Abstract

Abstract : Androgen receptor (AR) is an attractive target for the treatment of prostate cancer. An integrated pharmacophore-based and docking-based virtual screening approach was applied to identify novel AR antagonists with a distinct scaffold. The candidate compounds were evaluated for their abilities to inhibit prostate cancer cell proliferation and AR target gene prostate-specific antigen gene expression as well as the binding affinity to AR. A potent lead compound, T3, was discovered with the ability to inhibit prostate-specific antigen expression, with a similar binding affinity to AR, and with antiproliferative effects on AR-positive prostate cancer cells similar to that of MDV3100.