Journal
DRUG DISCOVERY TODAY
Volume 25, Issue 8, Pages 1453-1461Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2020.04.004
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Funding
- National Key R&D Program of China [2016YFA0202900]
- Key R&D Program of Zhejiang Province of China [2020C03010]
- National Natural Science Foundation of China [81773632, 21907084]
- Zhejiang Provincial Natural Science Foundation of China [LZ19H300001]
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The androgen receptor is a ligand-dependent transcriptional factor and an essential therapeutic target for prostate cancer. Competitive binding of antagonists to the androgen receptor can alleviate aberrant activation of the androgen receptor in prostate cancer. In recent years, computer-aided drug design has played an essential part in the discovery of novel androgen receptor antagonists. This review summarizes the recent advances in the discovery of novel androgen receptor antagonists through computer-aided drug design approaches; and discusses the applications of molecular modeling techniques to understand the resistance mechanisms of androgen receptor antagonists at the molecular level.
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